Geometry & MOs

Info

ID:

321211

PubChem CID:

126665336

Reduced:

ClON7C22H24 (1)

Stoich.:

ABC7D22E24 (1)

Weight, g/mol:

416.183985

ΔHf, kcal/mol:

54.02

Dipole, Da:

6.49

IP(EA), eV:

 -8.37(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-N-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)NC3CC4CN(CC4C3)C(=O)C5=CC=CC=C5)Cl

DOS

IR

Vibrations