Geometry & MOs

Info

ID:

313608

PubChem CID:

126616576

Reduced:

Cl2N3O4C27H27 (1)

Stoich.:

A2B3C4D27E27 (1)

Weight, g/mol:

684.103273

ΔHf, kcal/mol:

-68.75

Dipole, Da:

4.74

IP(EA), eV:

 -9.24(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)-[2-cyclopropyl-3-(pyridin-2-ylmethyl)benzimidazol-5-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC2=C(C=CC(=C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations