Geometry & MOs

Info

ID:	335261
PubChem CID:	127254122
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-102.91
Dipole, Da:	6.12
IP(EA), eV:	-8.66(0.1)
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]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2CC(=O)NC4=CC=CC=C4)O

DOS

IR

Vibrations