Geometry & MOs

Info

ID:	335336
PubChem CID:	127254198
Reduced:	NO5C27H33 (1)
Stoich.:	AB5C27D33 (1)
Weight, g/mol:	462.309372
ΔH_f, kcal/mol:	-162.61
Dipole, Da:	1.87
IP(EA), eV:	-8.38(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations