Geometry & MOs

Info

ID:	373309
PubChem CID:	131313054
Reduced:	IO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	274.95933
ΔH_f, kcal/mol:	-38.35
Dipole, Da:	3.23
IP(EA), eV:	-9.11(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(3-fluoro-5-methyl-2-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C=O)C)I

DOS

IR

Vibrations