Geometry & MOs

Info

ID:	173914
PubChem CID:	75697219
Reduced:	NO2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	214.180704
ΔH_f, kcal/mol:	-99.92
Dipole, Da:	4.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756229
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-methyl-2-(3-methylpiperidin-1-ium-1-yl)butanoate

Drug info:

PubChemData

Smile

CCC(C(=O)OC)[NH+]1CCCC(C1)C

DOS

IR

Vibrations