Geometry & MOs

Info

ID:

447896

PubChem CID:

135286637

Reduced:

FON9C33H34 (1)

Stoich.:

ABC9D33E34 (1)

Weight, g/mol:

505.16848

ΔHf, kcal/mol:

99.85

Dipole, Da:

9.45

IP(EA), eV:

 -8.38(-2.1)

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]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC(=CC(=C6)F)NCCN(C)C)/NN3

DOS

IR

Vibrations