Geometry & MOs

Info

ID:	422778
PubChem CID:	135118392
Reduced:	N2O5C16H18 (1)
Stoich.:	A2B5C16D18 (1)
Weight, g/mol:	336.105625
ΔH_f, kcal/mol:	-129.64
Dipole, Da:	3.05
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)NC[C@@H]3CCCO3)C(=O)O

DOS

IR

Vibrations