Geometry & MOs

Info

ID:

431038

PubChem CID:

135171108

Reduced:

FO2N6C48H55 (1)

Stoich.:

AB2C6D48E55 (1)

Weight, g/mol:

419.212139

ΔHf, kcal/mol:

-34.32

Dipole, Da:

5.47

IP(EA), eV:

 -8.56(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-cyano-N-ethyl-N-[3-[(4-fluorophenyl)methylamino]cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)C3=CC4=C(C=C3)NC(=C4)C(=O)N(CC)[C@H]5CCC[C@H](C5)NCC6=CC=C(C=C6)F)C(=O)C7=CC8=CC=CC=C8N7

DOS

IR

Vibrations