Geometry & MOs

Info

ID:

176095

PubChem CID:

75995653

Reduced:

OF2N8C22H24 (1)

Stoich.:

AB2C8D22E24 (1)

Weight, g/mol:

452.23246

ΔHf, kcal/mol:

0.09

Dipole, Da:

2.45

IP(EA), eV:

 -8.75(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-aminopyridin-3-yl)-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-b]pyridin-5-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCC1C(=O)N(C2=CN=C(N=C2N1C3=CN(N=C3)C)C4CNNC4C5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations