Geometry & MOs

Info

ID:	288033
PubChem CID:	104309044
Reduced:	ClN2O3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	205.086957
ΔH_f, kcal/mol:	5.42
Dipole, Da:	6.89
IP(EA), eV:	-10.09(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(C#N)Cl

DOS

IR

Vibrations