Geometry & MOs

Info

ID:	289487
PubChem CID:	104357714
Reduced:	BrClNOH9C11 (1)
Stoich.:	ABCDE9F11 (1)
Weight, g/mol:	352.94543
ΔH_f, kcal/mol:	26.7
Dipole, Da:	4.44
IP(EA), eV:	-9.78(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-chlorophenyl)-2-(2-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

CN(CC#C)C(=O)C1=C(C(=CC=C1)Br)Cl

DOS

IR

Vibrations