Geometry & MOs

Info

ID:	279659
PubChem CID:	103844588
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-18.07
Dipole, Da:	4.57
IP(EA), eV:	-8.75(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)COC3=CC=C(C=C3)CCO)N=CC=C2

DOS

IR

Vibrations