Geometry & MOs

Info

ID:	267774
PubChem CID:	103588959
Reduced:	BrNO4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	348.99497
ΔH_f, kcal/mol:	-70.25
Dipole, Da:	4.88
IP(EA), eV:	-9.9(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-nitrophenoxy)-1-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)CCCOC1=CC(=CC(=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations