Geometry & MOs

Info

ID:	81880
PubChem CID:	49855296
Reduced:	FNO3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	406.15941
ΔH_f, kcal/mol:	-114.28
Dipole, Da:	6.5
IP(EA), eV:	-8.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C3=C(CN(CC3)CC4=CC=C(C=C4)F)C(=O)O2

DOS

IR

Vibrations