Geometry & MOs

Info

ID:	27534
PubChem CID:	821864
Reduced:	BrSH7C9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	298.99795
ΔH_f, kcal/mol:	32.29
Dipole, Da:	0.6
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-1-benzothiophen-3-yl)methyl-methylamino]ethanol

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2S1)Br

DOS

IR

Vibrations