Geometry & MOs

Info

ID:	335216
PubChem CID:	127254077
Reduced:	NOCl3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	299.08437
ΔH_f, kcal/mol:	-103.22
Dipole, Da:	4.74
IP(EA), eV:	-9.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,4-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=C(C=C3)Cl)Cl)O.Cl

DOS

IR

Vibrations