Geometry & MOs

Info

ID:	1667
PubChem CID:	4847
Reduced:	FO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	393.185255
ΔH_f, kcal/mol:	-65.97
Dipole, Da:	1.71
IP(EA), eV:	-8.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations