Geometry & MOs

Info

ID:	250419
PubChem CID:	103096466
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	202.077599
ΔH_f, kcal/mol:	37.53
Dipole, Da:	3.62
IP(EA), eV:	-10.69(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(methylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]butan-1-ol

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=NC=C(C=C2)C#N)O

DOS

IR

Vibrations