Geometry & MOs

Info

ID:	205857
PubChem CID:	80165382
Reduced:	N4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	268.068177
ΔH_f, kcal/mol:	20.59
Dipole, Da:	3.36
IP(EA), eV:	-7.88(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-fluoro-4-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanol

Drug info:

PubChemData

Smile

CCCC(CC)NC1=NC2=C(N1)C=C(C=C2)N

DOS

IR

Vibrations