Geometry & MOs

Info

ID:	287795
PubChem CID:	104294625
Reduced:	NF2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	283.102
ΔH_f, kcal/mol:	-230.51
Dipole, Da:	5.48
IP(EA), eV:	-10.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2,4-difluoro-5-methylbenzoyl)piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(=O)NC(C)(C)C(C)(C)C(=O)O

DOS

IR

Vibrations