Geometry & MOs

Info

ID:	285226
PubChem CID:	104098731
Reduced:	SN2O4C10H16 (1)
Stoich.:	AB2C4D10E16 (1)
Weight, g/mol:	296.011246
ΔH_f, kcal/mol:	-64.17
Dipole, Da:	6.43
IP(EA), eV:	-9.64(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-fluoropyridin-4-yl)-3-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

COCC(CNCC1=CC=C(S1)[N+](=O)[O-])OC

DOS

IR

Vibrations