Geometry & MOs

Info

ID:

446056

PubChem CID:

135272078

Reduced:

FON7H26C30 (1)

Stoich.:

ABC7D26E30 (1)

Weight, g/mol:

420.149873

ΔHf, kcal/mol:

90.76

Dipole, Da:

8.95

IP(EA), eV:

 -8.42(-1.91)

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-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)NC(=O)CC(C)C)NN4)/C=C32

DOS

IR

Vibrations