Geometry & MOs

Info

ID:	215825
PubChem CID:	85085304
Reduced:	NSO3C5H9 (1)
Stoich.:	ABC3D5E9 (1)
Weight, g/mol:	163.099714
ΔH_f, kcal/mol:	-36.01
Dipole, Da:	3.31
IP(EA), eV:	-8.79(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-oxocyclopentyl)pent-2-enenitrile

Drug info:

PubChemData

Smile

CCS(=O)C(=C[N+](=O)[O-])C

DOS

IR

Vibrations