Geometry & MOs

Info

ID:	292415
PubChem CID:	115001310
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-52.16
Dipole, Da:	2.78
IP(EA), eV:	-8.9(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyethoxy)-3-phenylpropanenitrile

Drug info:

PubChemData

Smile

CCC(CC#N)OC1=CC=CC(=C1)OCC

DOS

IR

Vibrations