Geometry & MOs

Info

ID:	335315
PubChem CID:	127254177
Reduced:	NO4C28H33 (1)
Stoich.:	AB4C28D33 (1)
Weight, g/mol:	460.330108
ΔH_f, kcal/mol:	-127.46
Dipole, Da:	4.77
IP(EA), eV:	-8.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCC3(CCCCC3[C@@H]2C4=CC5=C(C=C4)OCO5)O

DOS

IR

Vibrations