Geometry & MOs

Info

ID:	371655
PubChem CID:	131270029
Reduced:	NCl2O3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	290.92978
ΔH_f, kcal/mol:	-35.19
Dipole, Da:	4.9
IP(EA), eV:	-10.33(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-(5-chloro-2-nitrophenyl)propan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations