Geometry & MOs

Info

ID:	335324
PubChem CID:	127254186
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	393.230394
ΔH_f, kcal/mol:	-177.91
Dipole, Da:	4.79
IP(EA), eV:	-8.82(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(CCCCC2[C@@H]1C3=CC=CC=C3OC)O

DOS

IR

Vibrations