Geometry & MOs

Info

ID:	232167
PubChem CID:	87575636
Reduced:	NO4H5C8 (2)
Stoich.:	AB4C5D8 (2)
Weight, g/mol:	452.061391
ΔH_f, kcal/mol:	-86.69
Dipole, Da:	3.83
IP(EA), eV:	-10.25(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-4-(2,2,2-trifluoroethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl] cyclobutanecarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])OC(=O)/C=C/C(=O)OC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations