Geometry & MOs

Info

ID:

448055

PubChem CID:

135288033

Reduced:

O2N9H29C31 (1)

Stoich.:

A2B9C29D31 (1)

Weight, g/mol:

521.265157

ΔHf, kcal/mol:

138.94

Dipole, Da:

9.85

IP(EA), eV:

 -8.5(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(4-methylpiperazin-1-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC7CCNCC7)NN4)/N=C32

DOS

IR

Vibrations