Geometry & MOs

Info

ID:

444096

PubChem CID:

135261315

Reduced:

ON9H23C27 (1)

Stoich.:

AB9C23D27 (1)

Weight, g/mol:

528.238608

ΔHf, kcal/mol:

181.43

Dipole, Da:

12.83

IP(EA), eV:

 -8.64(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CN=CC=C6)/NN3

DOS

IR

Vibrations