Geometry & MOs

Info

ID:	335217
PubChem CID:	127254078
Reduced:	NOCl2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	335.061047
ΔH_f, kcal/mol:	-57.13
Dipole, Da:	3.17
IP(EA), eV:	-9.13(-0.26)
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;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations