Geometry & MOs

Info

ID:	128572
PubChem CID:	51050847
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-130.05
Dipole, Da:	3.84
IP(EA), eV:	-10.21(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-oxo-2,5-dihydropyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC=C)C(=O)CC=C

DOS

IR

Vibrations