Geometry & MOs

Info

ID:	251289
PubChem CID:	103102782
Reduced:	FN3O5C11H12 (1)
Stoich.:	AB3C5D11E12 (1)
Weight, g/mol:	258.081599
ΔH_f, kcal/mol:	-149.84
Dipole, Da:	3.54
IP(EA), eV:	-9.48(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-amino-2-oxoethyl)-ethylamino]-3,5-difluorobenzoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C=C(C(=C1)C(=O)O)F)[N+](=O)[O-]

DOS

IR

Vibrations