Geometry & MOs

Info

ID:	335232
PubChem CID:	127254093
Reduced:	NO3C25H31 (1)
Stoich.:	AB3C25D31 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-88.86
Dipole, Da:	2.94
IP(EA), eV:	-8.5(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations