Geometry & MOs

Info

ID:	178455
PubChem CID:	76332122
Reduced:	FO3N5C10H12 (1)
Stoich.:	AB3C5D10E12 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-109.85
Dipole, Da:	5.36
IP(EA), eV:	-9.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-[(2S)-2-methyl-4-(2-methyl-4-phenoxyphenyl)piperazin-1-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1[C@H](O[C@H]([C@H]1O)N2C=NC3=C(N=C(N=C32)F)N)CO

DOS

IR

Vibrations