Geometry & MOs

Info

ID:	372770
PubChem CID:	131304303
Reduced:	ClBr2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	253.995756
ΔH_f, kcal/mol:	3.24
Dipole, Da:	3.13
IP(EA), eV:	-9.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-3-hydroxy-6-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)Br)CCl)Br

DOS

IR

Vibrations