Geometry & MOs

Info

ID:

444176

PubChem CID:

135261595

Reduced:

N8H26C29 (1)

Stoich.:

A8B26C29 (1)

Weight, g/mol:

489.171336

ΔHf, kcal/mol:

211.04

Dipole, Da:

4.4

IP(EA), eV:

 -8.64(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CN=CC=C7)/NN4

DOS

IR

Vibrations