Geometry & MOs

Info

ID:	335263
PubChem CID:	127254124
Reduced:	NO4C25H31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-152.65
Dipole, Da:	7.8
IP(EA), eV:	-8.77(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)CC4=CC=CC=C4)O)OC

DOS

IR

Vibrations