Geometry & MOs

Info

ID:

308900

PubChem CID:

126531817

Reduced:

FO2N8H25C29 (1)

Stoich.:

AB2C8D25E29 (1)

Weight, g/mol:

472.176007

ΔHf, kcal/mol:

80.93

Dipole, Da:

4.93

IP(EA), eV:

 -8.72(-2.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-(4-pyridin-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC(=CC(=C6)F)OC

DOS

IR

Vibrations