Geometry & MOs

Info

ID:	203487
PubChem CID:	79837133
Reduced:	NF2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	283.138385
ΔH_f, kcal/mol:	-202.8
Dipole, Da:	6.83
IP(EA), eV:	-9.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclohexylethylamino)-2,3-difluorobenzoic acid

Drug info:

PubChemData

Smile

C1COCCC1NC2=C(C(=C(C=C2)C(=O)O)F)F

DOS

IR

Vibrations