Geometry & MOs

Info

ID:	55584
PubChem CID:	17395596
Reduced:	FNO2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	438.241962
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	3.44
IP(EA), eV:	-9.58(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=COC(=C1)CCC(=O)NCC2=CC=C(C=C2)F

DOS

IR

Vibrations