Geometry & MOs

Info

ID:

173913

PubChem CID:

75697192

Reduced:

ON4C10H19 (1)

Stoich.:

AB4C10D19 (1)

Weight, g/mol:

200.165054

ΔHf, kcal/mol:

11.81

Dipole, Da:

6.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.900758

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(CN2CCOCC2)[NH3+]

DOS

IR

Vibrations