Geometry & MOs

Info

ID:

178141

PubChem CID:

76285254

Reduced:

SN6O6H30C32 (1)

Stoich.:

AB6C6D30E32 (1)

Weight, g/mol:

486.097394

ΔHf, kcal/mol:

-132.21

Dipole, Da:

4.7

IP(EA), eV:

 -8.74(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)C2=CC3=C4C(=CN=C3C=C2)N(C(=O)N4C5=CC=C(C=C5)C6CCN7C(C6)C(=O)[C@@H](C7=O)O)C)NS(=O)(=O)C

DOS

IR

Vibrations