Geometry & MOs

Info

ID:	23317
PubChem CID:	603057
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-152.0
Dipole, Da:	4.68
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 5-chloro-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=C(C(=C(NC1=O)C)Cl)C

DOS

IR

Vibrations