Geometry & MOs

Info

ID:

432857

PubChem CID:

135172994

Reduced:

NO3H14C16 (2)

Stoich.:

AB3C14D16 (2)

Weight, g/mol:

493.177484

ΔHf, kcal/mol:

-123.23

Dipole, Da:

7.99

IP(EA), eV:

 -9.08(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopropyl-[[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

C=C1C(=O)OC2(C1)C(=O)N(C3=CC=CC=C23)CC/C=C/C=C/CCN4C(=O)C5(OC(=O)C(=C)C5)C6=CC=CC=C46

DOS

IR

Vibrations