Geometry & MOs

Info

ID:

66440

PubChem CID:

46504576

Reduced:

N3O6C31H43 (1)

Stoich.:

A3B6C31D43 (1)

Weight, g/mol:

553.315186

ΔHf, kcal/mol:

-205.26

Dipole, Da:

8.84

IP(EA), eV:

 -8.45(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCCN1CCCNC(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations