Geometry & MOs

Info

ID:	284957
PubChem CID:	104085634
Reduced:	NOSC13H21 (1)
Stoich.:	ABCD13E21 (1)
Weight, g/mol:	289.0136
ΔH_f, kcal/mol:	-54.94
Dipole, Da:	1.3
IP(EA), eV:	-8.84(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-1-(4-bromophenyl)ethyl]sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C(C)N)SC(C)CO

DOS

IR

Vibrations