Geometry & MOs

Info

ID:

439543

PubChem CID:

135229319

Reduced:

O4N7C21H25 (1)

Stoich.:

A4B7C21D25 (1)

Weight, g/mol:

438.212787

ΔHf, kcal/mol:

-15.73

Dipole, Da:

3.45

IP(EA), eV:

 -8.18(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-(methylamino)-6-[(3-prop-2-enoyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazo[1,2-c]pyrimidin-5-one

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC)NC2=CN(C(=O)N3C2=NC=C3OC)CC4C5C4CN(C5)C(=O)C=C

DOS

IR

Vibrations