Geometry & MOs

Info

ID:	310352
PubChem CID:	126579178
Reduced:	FN3O5H10C11 (1)
Stoich.:	AB3C5D10E11 (1)
Weight, g/mol:	812.241018
ΔH_f, kcal/mol:	-62.96
Dipole, Da:	2.66
IP(EA), eV:	-9.47(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[1-[4-(4-carboxyphenyl)phenyl]-2,2-bis[4-(4-formyloxyphenyl)phenyl]ethenyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)OCF)COC2=NN(C=C2)O)[N+](=O)[O-]

DOS

IR

Vibrations