Geometry & MOs

Info

ID:	335349
PubChem CID:	127254211
Reduced:	NO3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-68.05
Dipole, Da:	2.02
IP(EA), eV:	-8.52(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2(CCN([C@H](C2C1)C3=CC4=C(C=C3)OCO4)C/C=C/C5=CC=CC=C5)O

DOS

IR

Vibrations