Geometry & MOs

Info

ID:	288032
PubChem CID:	104308939
Reduced:	ClNOBr2H6C9 (1)
Stoich.:	ABCD2E6F9 (1)
Weight, g/mol:	226.01452
ΔH_f, kcal/mol:	15.85
Dipole, Da:	4.4
IP(EA), eV:	-9.99(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(2-nitrophenoxy)propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)OCC(C#N)Cl)Br

DOS

IR

Vibrations