1-Azetine

Formula: C₃H₅N
Molecular weight: 55.0785
IUPAC Standard InChI: InChI=1S/C3H5N/c1-2-4-3-1/h2H,1,3H2
IUPAC Standard InChIKey: PTLWKRLAWHBMLM-UHFFFAOYSA-N
CAS Registry Number: 6788-85-8
Chemical structure:
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Vibrational and/or electronic energy levels

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1		Med.	Method	References


a'	1	CH stretch	3015	T	gas	IR	Amatatsu, Hamada, et al., 1987
	3	CH₂ s-stretch	2870		gas	IR	Amatatsu, Hamada, et al., 1987
	4	C=N stretch	1575	s	gas	IR	Dammel, Bock, et al., 1983 Amatatsu, Hamada, et al., 1987
	5	CH₂ scissors	1460		gas	IR	Amatatsu, Hamada, et al., 1987
	6	CH₂ scissors	1430	T	gas	IR	Dammel, Bock, et al., 1983 Amatatsu, Hamada, et al., 1987
	7	CH₂ wag	1279	s	gas	IR	Dammel, Bock, et al., 1983 Amatatsu, Hamada, et al., 1987
	8	CH bend	1220		gas	IR	Amatatsu, Hamada, et al., 1987
	9	CH₂ wag	1208		gas	IR	Dammel, Bock, et al., 1983 Amatatsu, Hamada, et al., 1987
	10	C-N stretch	1020		gas	IR	Dammel, Bock, et al., 1983 Amatatsu, Hamada, et al., 1987
	11	Ring deform.	895		gas	IR	Amatatsu, Hamada, et al., 1987
	12	C-C stretch	888	s	gas	IR	Dammel, Bock, et al., 1983 Amatatsu, Hamada, et al., 1987
	13	C-C stretch	866		gas	IR	Dammel, Bock, et al., 1983 Amatatsu, Hamada, et al., 1987
a	16	CH₂ twist	1142		gas	IR	Amatatsu, Hamada, et al., 1987
	17	CH₂ twist	1102	s	gas	IR	Dammel, Bock, et al., 1983 Amatatsu, Hamada, et al., 1987
	18	CH₂ rock	1038	T	gas	IR	Amatatsu, Hamada, et al., 1987
	19	CH OPLA	873		gas	IR	Amatatsu, Hamada, et al., 1987
	20	CH₂ rock	711	s	gas	IR	Dammel, Bock, et al., 1983 Amatatsu, Hamada, et al., 1987

Additional references: Jacox, 1994, page 409

Notes

Strong

Tentative assignment or approximate value

References

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Amatatsu, Hamada, et al., 1987
Amatatsu, Y.; Hamada, Y.; Tsuboi, M., FTIR detection of unstable molecules: Infrared spectrum of 1-azetine, J. Mol. Spectrosc., 1987, 123, 2, 267, https://doi.org/10.1016/0022-2852(87)90277-3 . [all data]

Dammel, Bock, et al., 1983
Dammel, R.; Bock, H.; Denis, J.-M., The photoelectron spectrum of 1-azetine, Chem. Phys. Lett., 1983, 102, 239. [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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