Geometry & MOs

Info

ID:	445875
PubChem CID:	135269852
Reduced:	O2F3N3C18H26 (1)
Stoich.:	A2B3C3D18E26 (1)
Weight, g/mol:	446.152495
ΔH_f, kcal/mol:	-208.0
Dipole, Da:	4.81
IP(EA), eV:	-8.95(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-6-(4-piperazin-1-ylsulfinylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CN(CC(N1CCCC(F)(F)F)C)CC2=CC=C(C=C2)C(=O)NO

DOS

IR

Vibrations