Geometry & MOs

Info

ID:	448406
PubChem CID:	135290697
Reduced:	ON3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	4.14
Dipole, Da:	5.38
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-ethynylpyridin-2-yl)-1-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CCCCCCCC.CN1CCN(CC1=O)C2=NC=C(C=C2)C#C

DOS

IR

Vibrations