Geometry & MOs

Info

ID:	27196
PubChem CID:	819413
Reduced:	NSO2C7H7 (1)
Stoich.:	ABC2D7E7 (1)
Weight, g/mol:	246.064057
ΔH_f, kcal/mol:	-51.53
Dipole, Da:	4.65
IP(EA), eV:	-9.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=N1)C(=O)O

DOS

IR

Vibrations