Geometry & MOs

Info

ID:	307763
PubChem CID:	125308932
Reduced:	O3N4H24C30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	366.149204
ΔH_f, kcal/mol:	14.21
Dipole, Da:	4.96
IP(EA), eV:	-9.0(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenyl-5H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)[C@@H]3C(=C4C=CC=CC4=N3)[C@H]5C6=CC=CC=C6C(=O)N5CC(=O)NCC(=O)N

DOS

IR

Vibrations