Geometry & MOs

Info

ID:	335301
PubChem CID:	127254162
Reduced:	NO5C25H31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	404.267508
ΔH_f, kcal/mol:	-174.6
Dipole, Da:	3.84
IP(EA), eV:	-8.32(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@H]2C3CCCCC3(CCN2C(=O)C4=CC=CC=C4OC)O

DOS

IR

Vibrations