Geometry & MOs

Info

ID:	250436
PubChem CID:	103096589
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-29.9
Dipole, Da:	3.53
IP(EA), eV:	-10.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-benzyl-1,2,4-oxadiazol-3-yl)butan-1-ol

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2CC3CC3C2)O

DOS

IR

Vibrations