Geometry & MOs

Info

ID:	335252
PubChem CID:	127254113
Reduced:	NO4C26H31 (1)
Stoich.:	AB4C26D31 (1)
Weight, g/mol:	460.330108
ΔH_f, kcal/mol:	-124.29
Dipole, Da:	4.31
IP(EA), eV:	-8.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(=O)N2CCC3(CCCCC3[C@@H]2C4=CC=CC=C4OC)O

DOS

IR

Vibrations