Geometry & MOs

Info

ID:	171764
PubChem CID:	75423306
Reduced:	FO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	278.174276
ΔH_f, kcal/mol:	-29.03
Dipole, Da:	4.81
IP(EA), eV:	-9.61(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[oxan-4-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanenitrile

Drug info:

PubChemData

Smile

C1COCCC1N(CCC#N)CC2=NN=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations