Geometry & MOs

Info

ID:	335401
PubChem CID:	127254263
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	452.267508
ΔH_f, kcal/mol:	-148.97
Dipole, Da:	2.77
IP(EA), eV:	-8.57(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)CN2CCC3(CCCCC3[C@@H]2C4=CC5=C(C=C4)OCO5)O)C

DOS

IR

Vibrations