Geometry & MOs

Info

ID:	77733
PubChem CID:	49658782
Reduced:	ClO2N5H16C19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	365.128803
ΔH_f, kcal/mol:	83.36
Dipole, Da:	4.86
IP(EA), eV:	-8.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations