Geometry & MOs

Info

ID:	335311
PubChem CID:	127254173
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	430.319543
ΔH_f, kcal/mol:	-181.41
Dipole, Da:	4.0
IP(EA), eV:	-8.52(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(2-ethylhexyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(CCCCC2[C@@H]1C3=CC=C(C=C3)OC)O

DOS

IR

Vibrations