Geometry & MOs

Info

ID:	251108
PubChem CID:	103101533
Reduced:	NO2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	286.076513
ΔH_f, kcal/mol:	-178.49
Dipole, Da:	3.0
IP(EA), eV:	-9.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-difluorobenzoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C(=C(C)C(=O)O)C

DOS

IR

Vibrations