Geometry & MOs

Info

ID:	287403
PubChem CID:	104240781
Reduced:	FON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-56.67
Dipole, Da:	8.51
IP(EA), eV:	-9.63(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CC(=O)N=C(N2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations