Geometry & MOs

Info

ID:	246991
PubChem CID:	103066120
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	260.995948
ΔH_f, kcal/mol:	-40.36
Dipole, Da:	6.98
IP(EA), eV:	-9.5(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-[2-(chloromethyl)prop-2-enoxy]-4-nitrobenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OCC(=C)CCl)C)[N+](=O)[O-]

DOS

IR

Vibrations