Geometry & MOs

Info

ID:	406664
PubChem CID:	135078307
Reduced:	NSO5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	223.059306
ΔH_f, kcal/mol:	-170.87
Dipole, Da:	6.86
IP(EA), eV:	-10.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-nitropyridin-2-yl)-3-oxobutanamide

Drug info:

PubChemData

Smile

CCCC(=NOS(=O)(=O)C1=CC=C(C=C1)C)CC(=O)OC

DOS

IR

Vibrations