Geometry & MOs

Info

ID:	152545
PubChem CID:	56311500
Reduced:	F2N2O2C21H24 (1)
Stoich.:	A2B2C2D21E24 (1)
Weight, g/mol:	460.05686
ΔH_f, kcal/mol:	-153.56
Dipole, Da:	1.37
IP(EA), eV:	-9.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations