Geometry & MOs

Info

ID:	448405
PubChem CID:	135290681
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	329.246713
ΔH_f, kcal/mol:	62.58
Dipole, Da:	2.36
IP(EA), eV:	-8.43(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC1)N2CCN(CC2)C3=NC=C(C=C3)C#C

DOS

IR

Vibrations