Geometry & MOs

Info

ID:

447973

PubChem CID:

135287260

Reduced:

FOSN6H13C22 (1)

Stoich.:

ABCD6E13F22 (1)

Weight, g/mol:

477.137179

ΔHf, kcal/mol:

130.18

Dipole, Da:

4.95

IP(EA), eV:

 -8.97(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(SC(=C1)F)C2=CN=CC3=N/C(=C/4\C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)O)/C=C23

DOS

IR

Vibrations