Geometry & MOs

Info

ID:	412946
PubChem CID:	135085883
Reduced:	BrNOC8H12 (1)
Stoich.:	ABCD8E12 (1)
Weight, g/mol:	361.84103
ΔH_f, kcal/mol:	0.18
Dipole, Da:	0.33
IP(EA), eV:	-8.93(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dibromoethenyl)-6-(trifluoromethyl)benzenethiol

Drug info:

PubChemData

Smile

C1COCCN1CCC#CBr

DOS

IR

Vibrations