Geometry & MOs

Info

ID:	19912
PubChem CID:	574967
Reduced:	NCl3O4H8C15 (1)
Stoich.:	AB3C4D8E15 (1)
Weight, g/mol:	370.951891
ΔH_f, kcal/mol:	-55.61
Dipole, Da:	3.21
IP(EA), eV:	-10.03(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenyl)-3-(2,4-dichlorophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C=C(C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations