Geometry & MOs

Info

ID:	250418
PubChem CID:	103096439
Reduced:	N3O3C9H11 (1)
Stoich.:	A3B3C9D11 (1)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	-11.7
Dipole, Da:	5.14
IP(EA), eV:	-10.62(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(1-hydroxybutyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=NOC(=C2)C)O

DOS

IR

Vibrations