Geometry & MOs

Info

ID:	121081
PubChem CID:	50755128
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	359.16452
ΔH_f, kcal/mol:	42.97
Dipole, Da:	5.28
IP(EA), eV:	-9.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1C(C1C(=O)NCC2=NOC(=N2)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations