Geometry & MOs

Info

ID:	335305
PubChem CID:	127254166
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	406.262028
ΔH_f, kcal/mol:	-170.16
Dipole, Da:	3.83
IP(EA), eV:	-8.42(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations