Geometry & MOs

Info

ID:	251142
PubChem CID:	103101730
Reduced:	ClN3O4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	225.091355
ΔH_f, kcal/mol:	-77.06
Dipole, Da:	8.48
IP(EA), eV:	-10.03(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-ethyl-6-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations