Geometry & MOs

Info

ID:	335208
PubChem CID:	127254069
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	301.10002
ΔH_f, kcal/mol:	-158.84
Dipole, Da:	3.85
IP(EA), eV:	-8.56(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@H]2C3CCCCC3(CCN2)O

DOS

IR

Vibrations