Geometry & MOs

Info

ID:	335290
PubChem CID:	127254151
Reduced:	NO6C26H33 (1)
Stoich.:	AB6C26D33 (1)
Weight, g/mol:	464.2078
ΔH_f, kcal/mol:	-204.37
Dipole, Da:	8.51
IP(EA), eV:	-8.16(-0.15)
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-(furan-2-ylmethyl)acetamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N2CCC3(CCCCC3[C@@H]2C4=CC(=C(C(=C4)OC)OC)OC)O

DOS

IR

Vibrations