Geometry & MOs

Info

ID:	338668
PubChem CID:	127259679
Reduced:	ClNO2H16C22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	343.120843
ΔH_f, kcal/mol:	5.04
Dipole, Da:	6.36
IP(EA), eV:	-9.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(E)-3-(2-hydroxyphenyl)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=C3Cl

DOS

IR

Vibrations