Geometry & MOs

Info

ID:

447851

PubChem CID:

135286361

Reduced:

OSN7H21C30 (1)

Stoich.:

ABC7D21E30 (1)

Weight, g/mol:

495.249507

ΔHf, kcal/mol:

195.71

Dipole, Da:

8.98

IP(EA), eV:

 -8.51(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC=CS7)N=C3

DOS

IR

Vibrations