Geometry & MOs

Info

ID:	275708
PubChem CID:	103817193
Reduced:	ClFN3O3H9C13 (1)
Stoich.:	ABC3D3E9F13 (1)
Weight, g/mol:	315.062198
ΔH_f, kcal/mol:	-30.38
Dipole, Da:	3.99
IP(EA), eV:	-9.39(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-chloro-5-nitropyridine-3-carbonyl)-ethylamino]propanoate

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)F)C(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations