Geometry & MOs

Info

ID:

309022

PubChem CID:

126534834

Reduced:

FO2N9C32H32 (1)

Stoich.:

AB2C9D32E32 (1)

Weight, g/mol:

518.181487

ΔHf, kcal/mol:

80.89

Dipole, Da:

3.48

IP(EA), eV:

 -8.65(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-(1,3-benzodioxol-5-yl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2-methylpropanamide

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(=CC=NC5=N4)C6=CC(=CC(=C6)F)OCCN(C)C

DOS

IR

Vibrations