Geometry & MOs

Info

ID:	250421
PubChem CID:	103096473
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	209.080041
ΔH_f, kcal/mol:	-29.53
Dipole, Da:	3.74
IP(EA), eV:	-10.49(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2C3C2CCC3)O

DOS

IR

Vibrations