Geometry & MOs

Info

ID:	335338
PubChem CID:	127254200
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-124.15
Dipole, Da:	5.25
IP(EA), eV:	-8.69(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-methoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol

Drug info:

PubChemData

Smile

C1CCC2(CCN([C@H](C2C1)C3=CC4=C(C=C3)OCO4)CC(=O)NC5=CC=CC=C5)O

DOS

IR

Vibrations