Geometry & MOs

Info

ID:	442657
PubChem CID:	135253846
Reduced:	NC14H27 (1)
Stoich.:	AB14C27 (1)
Weight, g/mol:	538.121483
ΔH_f, kcal/mol:	-31.28
Dipole, Da:	1.01
IP(EA), eV:	-8.1(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[4-[[4-(4-chloroanilino)phenyl]-phenylmethyl]anilino]benzoic acid

Drug info:

PubChemData

Smile

C/C=C(/C(C)(C)C)\N(C)C1CCCCC1

DOS

IR

Vibrations