Geometry & MOs

Info

ID:	335221
PubChem CID:	127254082
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	345.0495
ΔH_f, kcal/mol:	-55.08
Dipole, Da:	1.71
IP(EA), eV:	-8.76(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2)O

DOS

IR

Vibrations