Geometry & MOs

Info

ID:

446062

PubChem CID:

135272098

Reduced:

F3N7H24C30 (1)

Stoich.:

A3B7C24D30 (1)

Weight, g/mol:

420.149873

ΔHf, kcal/mol:

45.49

Dipole, Da:

7.05

IP(EA), eV:

 -8.56(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(3-fluoro-5-methylphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-5-pyridin-4-yl-1,2-dihydropyrazolo[4,3-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=C6)CN7CCC(C7)(F)F)NN4)/C=C32

DOS

IR

Vibrations