Geometry & MOs

Info

ID:

308751

PubChem CID:

126522447

Reduced:

OSN8H26C29 (1)

Stoich.:

ABC8D26E29 (1)

Weight, g/mol:

425.140036

ΔHf, kcal/mol:

164.01

Dipole, Da:

7.04

IP(EA), eV:

 -8.62(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-5-[(2E)-2-[5-(1-methylpyrazol-4-yl)-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]phenol

Drug info:

PubChemData

Smile

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CC=NC6=N5)C7=CC=CS7)/NN4

DOS

IR

Vibrations