Geometry & MOs

Info

ID:	21066
PubChem CID:	587071
Reduced:	BrClNO3H7C13 (1)
Stoich.:	ABCD3E7F13 (1)
Weight, g/mol:	338.92978
ΔH_f, kcal/mol:	8.14
Dipole, Da:	5.44
IP(EA), eV:	-10.22(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-nitrophenyl)-(4-chlorophenyl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])Cl

DOS

IR

Vibrations