Geometry & MOs

Info

ID:	305378
PubChem CID:	124807028
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	468.262422
ΔH_f, kcal/mol:	-42.14
Dipole, Da:	3.71
IP(EA), eV:	-9.06(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,4aS,8aS)-4a-hydroxy-1-(3,4,5-trimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@@H]1C[C@H]2CCN(C[C@@H]2O1)C3=NC=NC=C3

DOS

IR

Vibrations