Geometry & MOs

Info

ID:	34220
PubChem CID:	7890355
Reduced:	ClN3O5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	281.101171
ΔH_f, kcal/mol:	-111.5
Dipole, Da:	8.86
IP(EA), eV:	-9.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-nitro-2-oxopyridin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl

DOS

IR

Vibrations