Geometry & MOs

Info

ID:	68640
PubChem CID:	46508819
Reduced:	F2O2N5C23H25 (1)
Stoich.:	A2B2C5D23E25 (1)
Weight, g/mol:	497.14264
ΔH_f, kcal/mol:	-69.23
Dipole, Da:	5.76
IP(EA), eV:	-9.15(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations