Geometry & MOs

Info

ID:	18921
PubChem CID:	551009
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-28.43
Dipole, Da:	7.71
IP(EA), eV:	-8.84(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C(N1CCN2CCN(CC2)C)C

DOS

IR

Vibrations