Geometry & MOs

Info

ID:	335218
PubChem CID:	127254079
Reduced:	NOCl3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	299.08437
ΔH_f, kcal/mol:	-98.6
Dipole, Da:	4.84
IP(EA), eV:	-8.92(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2(CCN[C@H](C2C1)C3=C(C=CC=C3Cl)Cl)O.Cl

DOS

IR

Vibrations