Geometry & MOs

Info

ID:	152493
PubChem CID:	56311431
Reduced:	FN2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-86.4
Dipole, Da:	5.43
IP(EA), eV:	-8.37(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=CC=CC=C2F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations