Geometry & MOs

Info

ID:	208907
PubChem CID:	80602812
Reduced:	NOC16H33 (1)
Stoich.:	ABC16D33 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-94.12
Dipole, Da:	1.45
IP(EA), eV:	-9.23(2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-1-[2-(2-oxocyclopentyl)ethyl]pyridin-4-one

Drug info:

PubChemData

Smile

CC(C)CCOCCC1(CCCCCCC1)CN

DOS

IR

Vibrations