Geometry & MOs

Info

ID:

66441

PubChem CID:

46504577

Reduced:

N3O6C31H43 (1)

Stoich.:

A3B6C31D43 (1)

Weight, g/mol:

554.310435

ΔHf, kcal/mol:

-209.16

Dipole, Da:

2.04

IP(EA), eV:

 -8.43(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CCCNC(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC(=C(C=C4)OC)OC)C

DOS

IR

Vibrations