Geometry & MOs

Info

ID:	335333
PubChem CID:	127254195
Reduced:	NO4C20H29 (1)
Stoich.:	AB4C20D29 (1)
Weight, g/mol:	438.215472
ΔH_f, kcal/mol:	-192.04
Dipole, Da:	0.58
IP(EA), eV:	-8.97(0.22)
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-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2C(=O)OCC)O

DOS

IR

Vibrations