Geometry & MOs

Info

ID:	25496
PubChem CID:	625875
Reduced:	O2F3H9C16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	290.055464
ΔH_f, kcal/mol:	-189.65
Dipole, Da:	2.77
IP(EA), eV:	-9.72(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trifluoromethyl)phenanthrene-9-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC3=C2C=C(C=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations