Geometry & MOs

Info

ID:	372771
PubChem CID:	131304309
Reduced:	ClF3O3H6C9 (1)
Stoich.:	AB3C3D6E9 (1)
Weight, g/mol:	253.995756
ΔH_f, kcal/mol:	-267.62
Dipole, Da:	4.57
IP(EA), eV:	-9.84(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1Cl)O)C(F)(F)F

DOS

IR

Vibrations