Geometry & MOs

Info

ID:	66139
PubChem CID:	46499949
Reduced:	ClSN2O3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	178.159575
ΔH_f, kcal/mol:	-49.01
Dipole, Da:	2.86
IP(EA), eV:	-9.59(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-1-pent-4-en-2-ynylpiperidin-1-ium

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(S/C(=C\C2=CC=NC=C2)/C1=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations