Geometry & MOs

Info

ID:	372752
PubChem CID:	131303932
Reduced:	BrClO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	204.039814
ΔH_f, kcal/mol:	-80.35
Dipole, Da:	4.69
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-2-fluoro-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCl)C(=O)C(C)Br

DOS

IR

Vibrations