Geometry & MOs

Info

ID:

444097

PubChem CID:

135261317

Reduced:

ON8H28C31 (1)

Stoich.:

AB8C28D31 (1)

Weight, g/mol:

525.171336

ΔHf, kcal/mol:

154.49

Dipole, Da:

8.27

IP(EA), eV:

 -8.51(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC=CC=N7)/NN4

DOS

IR

Vibrations