Geometry & MOs

Info

ID:	335294
PubChem CID:	127254155
Reduced:	NO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	378.215472
ΔH_f, kcal/mol:	-100.48
Dipole, Da:	6.46
IP(EA), eV:	-8.99(-0.01)
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]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations