Geometry & MOs

Info

ID:

432799

PubChem CID:

135172936

Reduced:

O2H25C37 (2)

Stoich.:

A2B25C37 (2)

Weight, g/mol:

484.244756

ΔHf, kcal/mol:

115.12

Dipole, Da:

2.37

IP(EA), eV:

 -8.18(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[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]propan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC(=CC(=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)O)C7=CC=C(C=C7)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)C1=CC=C(C=C1)C1=CC=C(C=C1)O)C1=CC=C(C=C1)C1=CC=C(C=C1)O

DOS

IR

Vibrations