Geometry & MOs

Info

ID:	361416
PubChem CID:	127303314
Reduced:	N4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	31.03
Dipole, Da:	4.81
IP(EA), eV:	-8.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridin-3-yl]-6-ethyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC2=C(C=C3CCCC3=N2)C#N

DOS

IR

Vibrations