Geometry & MOs

Info

ID:	267773
PubChem CID:	103588956
Reduced:	BrFNO4H9C14 (1)
Stoich.:	ABCD4E9F14 (1)
Weight, g/mol:	300.99497
ΔH_f, kcal/mol:	-66.05
Dipole, Da:	3.58
IP(EA), eV:	-10.16(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-5-nitrophenoxy)pentan-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)COC2=CC(=CC(=C2)[N+](=O)[O-])Br)F

DOS

IR

Vibrations