Geometry & MOs

Info

ID:	201877
PubChem CID:	79595711
Reduced:	BrOSC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	263.98196
ΔH_f, kcal/mol:	-49.08
Dipole, Da:	1.45
IP(EA), eV:	-9.11(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromothiophen-3-yl)-1-methoxybutan-2-ol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)(C2=CSC=C2Br)O)C

DOS

IR

Vibrations