Geometry & MOs

Info

ID:	22713
PubChem CID:	598399
Reduced:	NCl2O2H5C7 (1)
Stoich.:	AB2C2D5E7 (1)
Weight, g/mol:	204.969734
ΔH_f, kcal/mol:	-1.32
Dipole, Da:	4.92
IP(EA), eV:	-10.25(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(chloromethyl)-2-nitrobenzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)[N+](=O)[O-])CCl

DOS

IR

Vibrations