Geometry & MOs

Info

ID:

432997

PubChem CID:

135173134

Reduced:

NH37C55 (1)

Stoich.:

AB37C55 (1)

Weight, g/mol:

507.193135

ΔHf, kcal/mol:

245.67

Dipole, Da:

2.01

IP(EA), eV:

 -8.56(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclobutyl-[[5-[(3Z)-4-fluoro-3-(7-pyridin-2-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC(=CC=C5)C6=C7C8=CC=CC=C8C(C7=CC=C6)(C9=CC=CC=C9)C1=CC=CC=N1)C1=CC=CC=C1

DOS

IR

Vibrations