Geometry & MOs

Info

ID:	57698
PubChem CID:	24262964
Reduced:	NF3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-244.67
Dipole, Da:	2.7
IP(EA), eV:	-10.02(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(C(=C(C=C2)F)F)F)C(=O)O

DOS

IR

Vibrations