Geometry & MOs

Info

ID:	8229
PubChem CID:	75572
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-52.68
Dipole, Da:	3.75
IP(EA), eV:	-10.27(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,3-bis(2-cyanoethoxy)propoxy]propanenitrile

Drug info:

PubChemData

Smile

C(COCC(COCCC#N)OCCC#N)C#N

DOS

IR

Vibrations