Geometry & MOs

Info

ID:

444159

PubChem CID:

135261537

Reduced:

ON8H20C26 (1)

Stoich.:

AB8C20D26 (1)

Weight, g/mol:

477.171336

ΔHf, kcal/mol:

171.95

Dipole, Da:

10.36

IP(EA), eV:

 -8.69(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(4-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CN=CC=C6)/NN3

DOS

IR

Vibrations