Geometry & MOs

Info

ID:	420916
PubChem CID:	135115036
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	332.164854
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	7.19
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)N[C@H]2COC[C@H]2CC3=CC=NC=C3)C(=O)N

DOS

IR

Vibrations