Geometry & MOs

Info

ID:	27508
PubChem CID:	821699
Reduced:	BrOCl2H3C6 (1)
Stoich.:	ABC2D3E6 (1)
Weight, g/mol:	271.084458
ΔH_f, kcal/mol:	-29.74
Dipole, Da:	2.64
IP(EA), eV:	-9.56(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-methyl-2-nitrophenyl)benzoate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)Br)Cl)O

DOS

IR

Vibrations