Geometry & MOs

Info

ID:	143572
PubChem CID:	53228305
Reduced:	NF4O4H7C14 (1)
Stoich.:	AB4C4D7E14 (1)
Weight, g/mol:	363.108228
ΔH_f, kcal/mol:	-243.72
Dipole, Da:	2.39
IP(EA), eV:	-10.74(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations