Geometry & MOs

Info

ID:	22558
PubChem CID:	597730
Reduced:	ClNO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	185.024356
ΔH_f, kcal/mol:	-5.33
Dipole, Da:	4.86
IP(EA), eV:	-10.15(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCl)[N+](=O)[O-]

DOS

IR

Vibrations