Geometry & MOs

Info

ID:

449263

PubChem CID:

135297230

Reduced:

F3N7H24C30 (1)

Stoich.:

A3B7C24D30 (1)

Weight, g/mol:

518.223038

ΔHf, kcal/mol:

45.66

Dipole, Da:

6.58

IP(EA), eV:

 -8.8(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CN=CC(=C6)CN7CCC(C7)(F)F)/C=C23

DOS

IR

Vibrations