Geometry & MOs

Info

ID:

447917

PubChem CID:

135286779

Reduced:

N9H21C25 (1)

Stoich.:

A9B21C25 (1)

Weight, g/mol:

461.160023

ΔHf, kcal/mol:

240.58

Dipole, Da:

7.73

IP(EA), eV:

 -8.8(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(furan-3-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CN=C1)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC=NC=C6

DOS

IR

Vibrations