Geometry & MOs

Info

ID:	335222
PubChem CID:	127254083
Reduced:	BrClNOC15H21 (1)
Stoich.:	ABCDE15F21 (1)
Weight, g/mol:	309.07283
ΔH_f, kcal/mol:	-84.8
Dipole, Da:	2.9
IP(EA), eV:	-9.66(-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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations