Geometry & MOs

Info

ID:

439592

PubChem CID:

135229368

Reduced:

SO2N9C38H39 (1)

Stoich.:

AB2C9D38E39 (1)

Weight, g/mol:

463.233188

ΔHf, kcal/mol:

124.71

Dipole, Da:

6.95

IP(EA), eV:

 -8.54(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-(2-methylcyclopropyl)-5-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NNC3=C2C=C(C=C3)NC(=O)C#C[C@@H](C4CCN(C4)CC(=O)C5CCN(CC5)C6=NC=C(C=C6)C7=NC=CC=N7)SC

DOS

IR

Vibrations