Geometry & MOs

Info

ID:	366002
PubChem CID:	127319307
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	1.17
Dipole, Da:	2.18
IP(EA), eV:	-9.54(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohex-3-en-1-yl-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCCC(C1)C2=NC(=NO2)CN3C=CC=N3

DOS

IR

Vibrations