Geometry & MOs

Info

ID:	401588
PubChem CID:	135051756
Reduced:	BrNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	645.91421
ΔH_f, kcal/mol:	-51.42
Dipole, Da:	5.08
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-2-[[5-nitro-2-(4-nitrophenyl)phenyl]diselanyl]-1-(4-nitrophenyl)benzene

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1Br)NC2=CC(=O)CCC2

DOS

IR

Vibrations