Geometry & MOs

Info

ID:	152639
PubChem CID:	56311648
Reduced:	O4N5C27H33 (1)
Stoich.:	A4B5C27D33 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	-118.22
Dipole, Da:	4.53
IP(EA), eV:	-9.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NN3C(=O)C(NC3=O)(C)CCC4=CC=CC=C4

DOS

IR

Vibrations