Geometry & MOs

Info

ID:	134533
PubChem CID:	51711783
Reduced:	ON3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	295.262363
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	5.38
IP(EA), eV:	-8.77(1.09)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(2S,3aR,7aS)-N-(1-ethylpiperidin-1-ium-4-yl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N(C)C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3N2

DOS

IR

Vibrations