Geometry & MOs

Info

ID:

228394

PubChem CID:

87564189

Reduced:

O3H20C21 (1)

Stoich.:

A3B20C21 (1)

Weight, g/mol:

999.454414

ΔHf, kcal/mol:

-59.62

Dipole, Da:

5.54

IP(EA), eV:

 -8.63(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazole-2-carbonyl]-1-methoxy-2-phenylcyclohexa-2,4-diene-1-carboxamide;2-(3-methylisoquinolin-4-yl)-4-[6-(piperazine-1-carbonyl)-1H-benzimidazole-2-carbonyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)OC2=CC3=C(C=C2)C=C(C=C3)CC=O

DOS

IR

Vibrations