Geometry & MOs

Info

ID:	158982
PubChem CID:	57244344
Reduced:	ON4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	482.024327
ΔH_f, kcal/mol:	45.03
Dipole, Da:	4.2
IP(EA), eV:	-8.7(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-chloro-4-(3,4-dichlorophenyl)phenyl]-3-methoxyphenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NNC(=C2NC(=O)C3=CC=CC=N3)C

DOS

IR

Vibrations