Geometry & MOs

Info

ID:	52276
PubChem CID:	12015089
Reduced:	NO2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	5.53
IP(EA), eV:	-10.3(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitrobenzoyl)azocan-2-one

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)C(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations