Geometry & MOs

Info

ID:	335352
PubChem CID:	127254214
Reduced:	NO3C26H33 (1)
Stoich.:	AB3C26D33 (1)
Weight, g/mol:	390.251858
ΔH_f, kcal/mol:	-89.6
Dipole, Da:	2.79
IP(EA), eV:	-8.49(0.18)
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-propylacetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2C3CCCCC3(CCN2C/C=C/C4=CC=CC=C4)O)OC

DOS

IR

Vibrations