Geometry & MOs

Info

ID:

444156

PubChem CID:

135261511

Reduced:

FON7H20C31 (1)

Stoich.:

ABC7D20E31 (1)

Weight, g/mol:

512.176087

ΔHf, kcal/mol:

153.35

Dipole, Da:

10.76

IP(EA), eV:

 -8.65(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC=C(C=C7)F)/NN4

DOS

IR

Vibrations