Geometry & MOs

Info

ID:	417785
PubChem CID:	135102764
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	332.164854
ΔH_f, kcal/mol:	-88.49
Dipole, Da:	1.95
IP(EA), eV:	-9.4(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCC12C(CC(=O)N2)C(=O)O)CC3=C4C=CC=NC4=CC=C3

DOS

IR

Vibrations