Geometry & MOs

Info

ID:	6870
PubChem CID:	70314
Reduced:	NCl2O2H5C7 (1)
Stoich.:	AB2C2D5E7 (1)
Weight, g/mol:	204.969734
ΔH_f, kcal/mol:	-2.74
Dipole, Da:	4.37
IP(EA), eV:	-10.39(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(chloromethyl)-5-nitrobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations