Geometry & MOs

Info

ID:

447930

PubChem CID:

135286905

Reduced:

N11C25H27 (1)

Stoich.:

A11B25C27 (1)

Weight, g/mol:

501.238942

ΔHf, kcal/mol:

228.11

Dipole, Da:

6.76

IP(EA), eV:

 -8.2(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopentyl-N-[[5-[(3Z)-3-(7-pyridin-3-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CN=CC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CN=CC(=N6)N7CC(C7)N)/C=C23

DOS

IR

Vibrations