Geometry & MOs

Info

ID:	153043
PubChem CID:	56312159
Reduced:	FN2O2C22H27 (1)
Stoich.:	AB2C2D22E27 (1)
Weight, g/mol:	410.150954
ΔH_f, kcal/mol:	-94.63
Dipole, Da:	3.86
IP(EA), eV:	-8.89(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCCOC3=CC=C(C=C3)F

DOS

IR

Vibrations