Geometry & MOs

Info

ID:	77735
PubChem CID:	49658791
Reduced:	ClO3N5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	383.119381
ΔH_f, kcal/mol:	45.27
Dipole, Da:	4.69
IP(EA), eV:	-8.83(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-5-[1-(5-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NOC(=N2)C3=C(N(N=N3)C4=CC(=C(C=C4)OC)Cl)C

DOS

IR

Vibrations