Geometry & MOs

Info

ID:	387056
PubChem CID:	134983799
Reduced:	N2O3C8H16 (1)
Stoich.:	A2B3C8D16 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-76.23
Dipole, Da:	7.65
IP(EA), eV:	-10.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylpiperidin-1-ium-1-amine;2,4,6-trimethylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC(C(=O)N(CC)CC)[N+](=O)[O-]

DOS

IR

Vibrations