Geometry & MOs

Info

ID:	250410
PubChem CID:	103096372
Reduced:	N2O2F3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	-163.95
Dipole, Da:	5.9
IP(EA), eV:	-10.64(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CC=CC=C2C(F)(F)F)O

DOS

IR

Vibrations