Geometry & MOs

Info

ID:	335303
PubChem CID:	127254164
Reduced:	ON2C28H38 (1)
Stoich.:	AB2C28D38 (1)
Weight, g/mol:	360.241293
ΔH_f, kcal/mol:	-18.66
Dipole, Da:	4.02
IP(EA), eV:	-7.97(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2C/C=C/C4=CC=CC=C4)O

DOS

IR

Vibrations