Geometry & MOs

Info

ID:

66439

PubChem CID:

46504575

Reduced:

ClN4O6C34H41 (1)

Stoich.:

AB4C6D34E41 (1)

Weight, g/mol:

553.315186

ΔHf, kcal/mol:

-167.77

Dipole, Da:

6.46

IP(EA), eV:

 -8.31(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-N-[3-(2-ethylpiperidin-1-yl)propyl]-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations