Geometry & MOs

Info

ID:	417679
PubChem CID:	135102486
Reduced:	FNOC17H24 (1)
Stoich.:	ABCD17E24 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-101.39
Dipole, Da:	3.6
IP(EA), eV:	-8.71(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2CCC[C@@]3(C2)CCC[C@H]3O)F

DOS

IR

Vibrations