Geometry & MOs

Info

ID:

431872

PubChem CID:

135171993

Reduced:

N2O2H34C55 (1)

Stoich.:

A2B2C34D55 (1)

Weight, g/mol:

484.247441

ΔHf, kcal/mol:

175.4

Dipole, Da:

0.83

IP(EA), eV:

 -8.02(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(1H-benzimidazol-2-ylamino)-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=CC=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9)C1=CC=CC=C14)C1=C(O2)C=C2C3=CC=CC=C3OC2=C1

DOS

IR

Vibrations