Geometry & MOs

Info

ID:

177460

PubChem CID:

76188118

Reduced:

O3N6C26H34 (1)

Stoich.:

A3B6C26D34 (1)

Weight, g/mol:

582.316583

ΔHf, kcal/mol:

-40.91

Dipole, Da:

3.33

IP(EA), eV:

 -8.43(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-(4-methoxyphenyl)-7-oxo-2,3,3a,4,5,7a-hexahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCC3C(C2=O)NNC3NC(=O)CCN4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations