Geometry & MOs

Info

ID:	302560
PubChem CID:	124385079
Reduced:	BrNSH12C13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	51.19
Dipole, Da:	2.71
IP(EA), eV:	-8.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-(dipropylamino)-3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=N1)SC2=CC=C(C=C2)Br

DOS

IR

Vibrations