Geometry & MOs

Info

ID:	145418
PubChem CID:	53521516
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	348.196154
ΔH_f, kcal/mol:	-113.46
Dipole, Da:	2.52
IP(EA), eV:	-9.08(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1C(=O)NCC(COC2=CC=CC=C2)O)C(C)C

DOS

IR

Vibrations