Geometry & MOs

Info

ID:	229078
PubChem CID:	87566905
Reduced:	NO6C14H25 (1)
Stoich.:	AB6C14D25 (1)
Weight, g/mol:	323.176644
ΔH_f, kcal/mol:	-314.41
Dipole, Da:	6.3
IP(EA), eV:	-10.38(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-di(butan-2-yl)piperidin-1-ium-3-one;methyl sulfate

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)OC(C)C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations