Geometry & MOs

Info

ID:	340867
PubChem CID:	127263302
Reduced:	BrIO2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-47.97
Dipole, Da:	1.5
IP(EA), eV:	-9.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)I)CBr

DOS

IR

Vibrations