Geometry & MOs

Info

ID:

175520

PubChem CID:

75916025

Reduced:

N2O3C16H27 (1)

Stoich.:

A2B3C16D27 (1)

Weight, g/mol:

435.215806

ΔHf, kcal/mol:

-101.97

Dipole, Da:

3.0

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.773075

Charge, e:

0

Chem-info

IUPAC name:

3'-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

Drug info:

PubChemData

Smile

CCCCNC(=O)C[NH+](CC1CCCO1)CC2=CC=CO2

DOS

IR

Vibrations