Geometry & MOs

Info

ID:	335256
PubChem CID:	127254117
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-222.53
Dipole, Da:	3.09
IP(EA), eV:	-8.54(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations