Geometry & MOs

Info

ID:	313639
PubChem CID:	126616775
Reduced:	BrClNO2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	507.148032
ΔH_f, kcal/mol:	-36.15
Dipole, Da:	4.61
IP(EA), eV:	-9.48(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[bis(4-chlorophenyl)methyl]-1-piperidin-4-ylbenzimidazol-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CC1(C3=NC(=CC(=C3)Br)Cl)C(=O)O

DOS

IR

Vibrations