Geometry & MOs

Info

ID:	227810
PubChem CID:	87562551
Reduced:	SN2O2C11H12 (2)
Stoich.:	AB2C2D11E12 (2)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	-115.83
Dipole, Da:	5.22
IP(EA), eV:	-9.2(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-ethynylphenyl)ethyl]piperidin-4-one

Drug info:

PubChemData

Smile

CNC(=O)C1CCC(C1)NC(=O)NC2=NC3=C(S2)C=C(C=C3)C4=CC(=CC=C4)S(=O)(=O)C

DOS

IR

Vibrations