Geometry & MOs

Info

ID:	21796
PubChem CID:	590363
Reduced:	NCl3O4H8C15 (1)
Stoich.:	AB3C4D8E15 (1)
Weight, g/mol:	370.951891
ΔH_f, kcal/mol:	-51.06
Dipole, Da:	3.65
IP(EA), eV:	-9.94(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2-(3,5-dichloro-2-nitrophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations