Geometry & MOs

Info

ID:	62870
PubChem CID:	26737389
Reduced:	N3O4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	405.132471
ΔH_f, kcal/mol:	-77.51
Dipole, Da:	8.6
IP(EA), eV:	-9.06(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC[C@H](CNC1=C(C(=O)N(C2=CC=CC=C21)C)[N+](=O)[O-])OCC

DOS

IR

Vibrations