Geometry & MOs

Info

ID:	279647
PubChem CID:	103844564
Reduced:	NSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-41.12
Dipole, Da:	4.28
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(S1)COC2=CC=C(C=C2)CCO

DOS

IR

Vibrations