Geometry & MOs

Info

ID:	27932
PubChem CID:	824191
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	313.106256
ΔH_f, kcal/mol:	-1.26
Dipole, Da:	5.87
IP(EA), eV:	-9.45(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)ethylideneamino]-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1CCC(=NNC(=O)C2=CC=CC=C2[N+](=O)[O-])C1

DOS

IR

Vibrations