Geometry & MOs

Info

ID:	250381
PubChem CID:	103096163
Reduced:	N2O2C9H16 (1)
Stoich.:	A2B2C9D16 (1)
Weight, g/mol:	278.124212
ΔH_f, kcal/mol:	-57.79
Dipole, Da:	3.71
IP(EA), eV:	-10.69(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations