Geometry & MOs

Info

ID:	18967
PubChem CID:	551897
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-110.84
Dipole, Da:	4.99
IP(EA), eV:	-9.75(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4,6-dimethyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=C(C(=C(NC1=O)C)[N+](=O)[O-])C

DOS

IR

Vibrations