Geometry & MOs

Info

ID:	175336
PubChem CID:	75884601
Reduced:	N2O3C21H34 (1)
Stoich.:	A2B3C21D34 (1)
Weight, g/mol:	331.18441
ΔH_f, kcal/mol:	-138.42
Dipole, Da:	7.21
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NCCCN2CC(CC(C2)C)C)OCC

DOS

IR

Vibrations