Geometry & MOs

Info

ID:

449878

PubChem CID:

135302226

Reduced:

FON7H24C30 (1)

Stoich.:

ABC7D24E30 (1)

Weight, g/mol:

421.145122

ΔHf, kcal/mol:

111.98

Dipole, Da:

8.1

IP(EA), eV:

 -8.52(-2.0)

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-pyrimidin-5-yl-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCC7)/C=C32

DOS

IR

Vibrations