Geometry & MOs

Info

ID:	151912
PubChem CID:	56310737
Reduced:	N2O2C23H30 (1)
Stoich.:	A2B2C23D30 (1)
Weight, g/mol:	454.10044
ΔH_f, kcal/mol:	-57.92
Dipole, Da:	3.31
IP(EA), eV:	-8.55(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[5-(3-bromophenyl)-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=CC=C3C

DOS

IR

Vibrations