Geometry & MOs

Info

ID:	250382
PubChem CID:	103096190
Reduced:	N2O2F3C12H17 (1)
Stoich.:	A2B2C3D12E17 (1)
Weight, g/mol:	279.085521
ΔH_f, kcal/mol:	-220.59
Dipole, Da:	1.65
IP(EA), eV:	-10.94(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2CCC(CC2)C(F)(F)F)O

DOS

IR

Vibrations