Geometry & MOs

Info

ID:	27266
PubChem CID:	820065
Reduced:	ON4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	260.023166
ΔH_f, kcal/mol:	69.56
Dipole, Da:	5.14
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-5-(chloromethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC(=NN1)C2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations