Geometry & MOs

Info

ID:	335337
PubChem CID:	127254199
Reduced:	N2O5C26H42 (1)
Stoich.:	A2B5C26D42 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-227.74
Dipole, Da:	1.89
IP(EA), eV:	-8.49(0.18)
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-phenylacetamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)CN1CCC2(CCCCC2[C@@H]1C3=CC(=C(C(=C3)OC)OC)OC)O

DOS

IR

Vibrations