Geometry & MOs

Info

ID:	141197
PubChem CID:	52836357
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	265.227989
ΔH_f, kcal/mol:	-78.72
Dipole, Da:	2.45
IP(EA), eV:	-8.69(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R,2R,4S)-N-[2-(1-methylpiperidin-1-ium-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)CCNC(=O)C2=NN(C(=O)CC2)C

DOS

IR

Vibrations