Geometry & MOs

Info

ID:	13786
PubChem CID:	398190
Reduced:	Cl2N2O6H12C15 (1)
Stoich.:	A2B2C6D12E15 (1)
Weight, g/mol:	386.007242
ΔH_f, kcal/mol:	-52.92
Dipole, Da:	2.72
IP(EA), eV:	-9.66(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-5-[(3-chloro-4-methoxy-5-nitrophenyl)methyl]-2-methoxy-3-nitrobenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)CC2=CC(=C(C(=C2)Cl)OC)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations