Geometry & MOs

Info

ID:	374553
PubChem CID:	131331472
Reduced:	BrOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	309.92748
ΔH_f, kcal/mol:	-15.11
Dipole, Da:	2.02
IP(EA), eV:	-8.24(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-bromo-4-(trifluoromethyl)-1-benzothiophen-5-yl]methanol

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1)CBr)C(=CS2)OC

DOS

IR

Vibrations