Geometry & MOs

Info

ID:	82361
PubChem CID:	49855938
Reduced:	ClO4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	244.94877
ΔH_f, kcal/mol:	-122.54
Dipole, Da:	4.92
IP(EA), eV:	-9.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-bromo-2-nitroethenyl]-4-fluorobenzene

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)Cl

DOS

IR

Vibrations