Geometry & MOs

Info

ID:

447954

PubChem CID:

135287120

Reduced:

FO2N9H30C32 (1)

Stoich.:

AB2C9D30E32 (1)

Weight, g/mol:

449.160023

ΔHf, kcal/mol:

101.06

Dipole, Da:

10.54

IP(EA), eV:

 -8.63(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(furan-3-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7CCC7)NN4)/N=C23)F

DOS

IR

Vibrations