Geometry & MOs

Info

ID:	165046
PubChem CID:	74489113
Reduced:	O3C20H31 (1)
Stoich.:	A3B20C31 (1)
Weight, g/mol:	143.058243
ΔH_f, kcal/mol:	-121.48
Dipole, Da:	6.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777837
Charge, e:	0

Chem-info

IUPAC name:

4-oxopiperidin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2(CCCC(C2CC1=O)(C)C)C)CCC(C)CC(=O)[O-]

DOS

IR

Vibrations