Geometry & MOs

Info

ID:	335280
PubChem CID:	127254141
Reduced:	NO3C25H33 (1)
Stoich.:	AB3C25D33 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-103.18
Dipole, Da:	1.94
IP(EA), eV:	-8.09(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations