Geometry & MOs

Info

ID:	373568
PubChem CID:	131317368
Reduced:	OCl2F3H3C8 (1)
Stoich.:	AB2C3D3E8 (1)
Weight, g/mol:	238.025307
ΔH_f, kcal/mol:	-176.95
Dipole, Da:	2.13
IP(EA), eV:	-10.46(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-6-hydroxy-4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C=O)C(F)(F)F)Cl)Cl

DOS

IR

Vibrations