Geometry & MOs

Info

ID:	22876
PubChem CID:	599349
Reduced:	NF3O4H10C16 (1)
Stoich.:	AB3C4D10E16 (1)
Weight, g/mol:	337.056192
ΔH_f, kcal/mol:	-186.8
Dipole, Da:	6.11
IP(EA), eV:	-10.57(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C(C2=CC(=CC=C2)C(F)(F)F)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations