Geometry & MOs

Info

ID:	9268
PubChem CID:	87616
Reduced:	NO2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	157.110279
ΔH_f, kcal/mol:	-85.56
Dipole, Da:	4.33
IP(EA), eV:	-10.4(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-diethoxybutanenitrile

Drug info:

PubChemData

Smile

CCOC(CCC#N)OCC

DOS

IR

Vibrations