Geometry & MOs

Info

ID:

439585

PubChem CID:

135229361

Reduced:

O3N7C22H27 (2)

Stoich.:

A3B7C22D27 (2)

Weight, g/mol:

467.219349

ΔHf, kcal/mol:

-2.51

Dipole, Da:

7.39

IP(EA), eV:

 -7.6(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[6-[[1-(1-bicyclo[1.1.1]pentanyl)-3-methoxypyrazol-4-yl]amino]-9-methylpurin-2-yl]-4-fluoropyrrolidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C=NC2=C1C(=O)N(C=C2NC3=CN(N=C3OC)C)C4CCCN(C4)C(=O)C(=C)C5C[C@H]5N6C=NC7=C6C(=O)N(C=C7NC8=CN(N=C8OC)C)C9CCCN(C9)C(=O)C=C

DOS

IR

Vibrations