Geometry & MOs

Info

ID:	77732
PubChem CID:	49658781
Reduced:	ClOSN5H10C15 (1)
Stoich.:	ABCD5E10F15 (1)
Weight, g/mol:	381.099252
ΔH_f, kcal/mol:	133.68
Dipole, Da:	5.77
IP(EA), eV:	-9.28(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)Cl)C3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations