Geometry & MOs

Info

ID:	139860
PubChem CID:	52609292
Reduced:	SN3O3C22H36 (1)
Stoich.:	AB3C3D22E36 (1)
Weight, g/mol:	349.249118
ΔH_f, kcal/mol:	-107.44
Dipole, Da:	4.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755116
Charge, e:	1

Chem-info

IUPAC name:

3-ethoxy-N-[2-[(2R)-2-methylpiperidin-1-ium-1-yl]ethyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[NH+]1CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3CCCCC3

DOS

IR

Vibrations