Geometry & MOs

Info

ID:	250408
PubChem CID:	103096369
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	282.067428
ΔH_f, kcal/mol:	-19.46
Dipole, Da:	6.1
IP(EA), eV:	-10.36(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC(=C(C=C2)C)[N+](=O)[O-])O

DOS

IR

Vibrations