Geometry & MOs

Info

ID:	8728
PubChem CID:	80785
Reduced:	ClNO3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	201.019271
ΔH_f, kcal/mol:	-33.29
Dipole, Da:	6.57
IP(EA), eV:	-9.71(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCl)[N+](=O)[O-]

DOS

IR

Vibrations