Geometry & MOs

Info

ID:	338669
PubChem CID:	127259680
Reduced:	NO3H17C22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	372.111007
ΔH_f, kcal/mol:	-29.62
Dipole, Da:	8.12
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CC=C3O

DOS

IR

Vibrations