Geometry & MOs

Info

ID:	275734
PubChem CID:	103817329
Reduced:	ClO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	315.062198
ΔH_f, kcal/mol:	46.82
Dipole, Da:	4.71
IP(EA), eV:	-9.27(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]propanoate

Drug info:

PubChemData

Smile

C#CCN1CCN(CC1)C(=O)C2=C(N=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations