Geometry & MOs

Info

ID:	374069
PubChem CID:	131323265
Reduced:	BrNOF3H5C9 (1)
Stoich.:	ABCD3E5F9 (1)
Weight, g/mol:	285.92748
ΔH_f, kcal/mol:	-151.24
Dipole, Da:	3.6
IP(EA), eV:	-9.97(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-methylsulfanyl-5-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CC#N)Br)O)C(F)(F)F

DOS

IR

Vibrations