Geometry & MOs

Info

ID:

448130

PubChem CID:

135288681

Reduced:

N10C27H30 (1)

Stoich.:

A10B27C30 (1)

Weight, g/mol:

444.213455

ΔHf, kcal/mol:

201.53

Dipole, Da:

6.58

IP(EA), eV:

 -8.13(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-methyl-4-[(3Z)-3-[4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CN=CC(=C6)CN7CCCC7)NN4)/N=C32

DOS

IR

Vibrations