Geometry & MOs

Info

ID:	335354
PubChem CID:	127254216
Reduced:	NO5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	390.251858
ΔH_f, kcal/mol:	-217.67
Dipole, Da:	2.23
IP(EA), eV:	-8.66(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)OC)O)OC

DOS

IR

Vibrations