Geometry & MOs

Info

ID:

427444

PubChem CID:

135158992

Reduced:

O2N4H30C31 (1)

Stoich.:

A2B4C30D31 (1)

Weight, g/mol:

473.253923

ΔHf, kcal/mol:

77.79

Dipole, Da:

3.08

IP(EA), eV:

 -8.07(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[[4-[4-hydroxy-2-methyl-3-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C/C=C\C(=C(/C=C)\N)\NC(=O)C1=NN(C(=C1OCC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations