Geometry & MOs

Info

ID:	153128
PubChem CID:	56312270
Reduced:	O3N4C27H36 (1)
Stoich.:	A3B4C27D36 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	-80.54
Dipole, Da:	7.47
IP(EA), eV:	-8.55(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCN(CC3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations