Geometry & MOs

Info

ID:	225239
PubChem CID:	85752860
Reduced:	H4O5C7 (1)
Stoich.:	A4B5C7 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	-115.6
Dipole, Da:	1.17
IP(EA), eV:	-10.63(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium

Drug info:

PubChemData

Smile

C1=COC(=O)C=C(C1=O)C(=O)O

DOS

IR

Vibrations