Geometry & MOs

Info

ID:	335347
PubChem CID:	127254209
Reduced:	NO2C25H31 (1)
Stoich.:	AB2C25D31 (1)
Weight, g/mol:	420.262422
ΔH_f, kcal/mol:	-46.81
Dipole, Da:	1.68
IP(EA), eV:	-8.6(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-4a-hydroxy-1-(3,4,5-trimethoxyphenyl)-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

DOS

IR

Vibrations