Geometry & MOs

Info

ID:	373809
PubChem CID:	131320247
Reduced:	ON3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	165.078979
ΔH_f, kcal/mol:	37.97
Dipole, Da:	1.31
IP(EA), eV:	-9.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-6,7,8,9-tetrahydropyrrolo[1,2-a]azepin-5-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(CCN)C#N

DOS

IR

Vibrations