Geometry & MOs

Info

ID:	2698
PubChem CID:	8332
Reduced:	NCl2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	309.032334
ΔH_f, kcal/mol:	8.02
Dipole, Da:	3.52
IP(EA), eV:	-9.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene

Drug info:

PubChemData

Smile

CC(C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations