Geometry & MOs

Info

ID:	207969
PubChem CID:	80475084
Reduced:	BrNSC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	291.02925
ΔH_f, kcal/mol:	17.0
Dipole, Da:	2.16
IP(EA), eV:	-8.88(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromothiophen-2-yl)-1-(2-methylpropylamino)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)NCCC=C(C)C1=C(C=CS1)Br

DOS

IR

Vibrations