Geometry & MOs

Info

ID:

66436

PubChem CID:

46504572

Reduced:

FN3O6C31H34 (1)

Stoich.:

AB3C6D31E34 (1)

Weight, g/mol:

575.299536

ΔHf, kcal/mol:

-198.42

Dipole, Da:

6.38

IP(EA), eV:

 -8.64(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[benzyl(ethyl)amino]propyl]-3-(3,4-dimethoxyphenyl)-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)N3CCN(CC3)C4=CC=C(C=C4)F)C5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations