Geometry & MOs

Info

ID:

446064

PubChem CID:

135272110

Reduced:

FON7H28C31 (1)

Stoich.:

ABC7D28E31 (1)

Weight, g/mol:

450.160437

ΔHf, kcal/mol:

114.08

Dipole, Da:

9.44

IP(EA), eV:

 -8.47(-1.95)

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-(5-methoxypyridin-3-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=CC(=CN=C6)OCCN7CCCC7)NN4)/C=C32

DOS

IR

Vibrations