Geometry & MOs

Info

ID:	250407
PubChem CID:	103096357
Reduced:	N2O3C9H16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	263.090606
ΔH_f, kcal/mol:	-86.88
Dipole, Da:	4.25
IP(EA), eV:	-10.11(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)CCCOC)O

DOS

IR

Vibrations