Geometry & MOs

Info

ID:	267788
PubChem CID:	103589302
Reduced:	Br2N3O3H11C12 (1)
Stoich.:	A2B3C3D11E12 (1)
Weight, g/mol:	404.88345
ΔH_f, kcal/mol:	22.19
Dipole, Da:	4.89
IP(EA), eV:	-9.53(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[(3-bromo-5-nitrophenoxy)methyl]-3-fluorobenzene

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Br)COC2=CC(=CC(=C2)[N+](=O)[O-])Br)C

DOS

IR

Vibrations