Geometry & MOs

Info

ID:

314682

PubChem CID:

126622710

Reduced:

Cl2N3O6C37H41 (1)

Stoich.:

A2B3C6D37E41 (1)

Weight, g/mol:

589.249605

ΔHf, kcal/mol:

-213.09

Dipole, Da:

5.21

IP(EA), eV:

 -9.18(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[6-[(4-chlorophenyl)-phenylmethyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]methyl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=NC2=C(N1C3CCN(C(C3)C(C)(C)C)C(=O)O)C=C(C=C2)C(C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)C(=O)OC

DOS

IR

Vibrations