Geometry & MOs

Info

ID:

447834

PubChem CID:

135286117

Reduced:

N8H16C23 (1)

Stoich.:

A8B16C23 (1)

Weight, g/mol:

534.285558

ΔHf, kcal/mol:

222.77

Dipole, Da:

6.93

IP(EA), eV:

 -8.45(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexyl-N-[5-[(3Z)-3-(4-piperidin-1-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)N)/C=C32

DOS

IR

Vibrations