Geometry & MOs

Info

ID:	21110
PubChem CID:	587222
Reduced:	NCl2O4H9C15 (1)
Stoich.:	AB2C4D9E15 (1)
Weight, g/mol:	336.990863
ΔH_f, kcal/mol:	-41.79
Dipole, Da:	5.24
IP(EA), eV:	-10.02(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-2-nitrophenyl)-2-(4-chlorophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=CC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)O)Cl

DOS

IR

Vibrations