Geometry & MOs

Info

ID:	371631
PubChem CID:	131269245
Reduced:	BrOSH11C12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	336.87722
ΔH_f, kcal/mol:	-2.71
Dipole, Da:	3.75
IP(EA), eV:	-8.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(=CC2=C1C=CS2)CBr)C=O

DOS

IR

Vibrations