Geometry & MOs

Info

ID:	120874
PubChem CID:	50748257
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	467.233268
ΔH_f, kcal/mol:	-85.1
Dipole, Da:	5.11
IP(EA), eV:	-9.07(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-1,2,4-oxadiazol-3-yl]-6-methyl-1-propylpyridin-2-one

Drug info:

PubChemData

Smile

CCCCNC(=O)CCC1=NC(=NO1)C2=CC=C(N(C2=O)C(C)C)C

DOS

IR

Vibrations