Geometry & MOs

Info

ID:

439588

PubChem CID:

135229364

Reduced:

O3N7C23H31 (1)

Stoich.:

A3B7C23D31 (1)

Weight, g/mol:

274.117824

ΔHf, kcal/mol:

-38.1

Dipole, Da:

5.69

IP(EA), eV:

-8.22(-0.23)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methyl-5H-imidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC(=O)N(C)C1CCC(C1)N2C=C(C3=NC=C(N3C2=O)C4CCC4)NC5=CN(N=C5OC)C

DOS

IR

Vibrations