Geometry & MOs

Info

ID:

447908

PubChem CID:

135286734

Reduced:

FON7H22C29 (1)

Stoich.:

ABC7D22E29 (1)

Weight, g/mol:

479.152829

ΔHf, kcal/mol:

127.23

Dipole, Da:

9.89

IP(EA), eV:

 -8.89(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CC=C(C=C7)F)/NN4

DOS

IR

Vibrations