Geometry & MOs

Info

ID:

432903

PubChem CID:

135173040

Reduced:

NH13C16 (3)

Stoich.:

AB13C16 (3)

Weight, g/mol:

532.244756

ΔHf, kcal/mol:

250.84

Dipole, Da:

4.64

IP(EA), eV:

 -8.86(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-[(3Z)-3-[7-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-phenylmethanol

Drug info:

PubChemData

Smile

CC1/C=C\C(=C/C(C(C2=CC=CC=C12)(C3=CC=CC=C3)C4=CN=CC=C4)C)\C5=CC=CC(=C5)C6=NC(=NC(=C6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations