Geometry & MOs

Info

ID:	365994
PubChem CID:	127319299
Reduced:	ON7C16H21 (1)
Stoich.:	AB7C16D21 (1)
Weight, g/mol:	296.094312
ΔH_f, kcal/mol:	94.87
Dipole, Da:	1.54
IP(EA), eV:	-9.06(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopentylsulfonylmethyl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCC(CC2)C3=NC(=NO3)CN4C=CC=N4

DOS

IR

Vibrations