Geometry & MOs

Info

ID:	338667
PubChem CID:	127259678
Reduced:	NO3H21C28 (1)
Stoich.:	AB3C21D28 (1)
Weight, g/mol:	361.086956
ΔH_f, kcal/mol:	6.02
Dipole, Da:	7.01
IP(EA), eV:	-9.04(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(E)-3-(2-chlorophenyl)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=C3)OC4=CC=CC=C4

DOS

IR

Vibrations