Geometry & MOs

Info

ID:

66437

PubChem CID:

46504573

Reduced:

N3O6C33H41 (1)

Stoich.:

A3B6C33D41 (1)

Weight, g/mol:

575.299536

ΔHf, kcal/mol:

-167.53

Dipole, Da:

2.83

IP(EA), eV:

 -8.72(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCCNC(=O)C1C(N(C(=O)C2=CC(=C(C=C12)OC)OC)C)C3=CC(=C(C=C3)OC)OC)CC4=CC=CC=C4

DOS

IR

Vibrations