Geometry & MOs

Info

ID:	365666
PubChem CID:	127318387
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-96.26
Dipole, Da:	3.12
IP(EA), eV:	-9.66(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylpyrimidin-5-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NO3)C4CCOCC4

DOS

IR

Vibrations