Geometry & MOs

Info

ID:	250415
PubChem CID:	103096416
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	246.067428
ΔH_f, kcal/mol:	-55.86
Dipole, Da:	3.82
IP(EA), eV:	-9.13(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC(=C(C=C2)C)OC)O

DOS

IR

Vibrations