Geometry & MOs

Info

ID:	25495
PubChem CID:	625873
Reduced:	ClNO4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	290.055464
ΔH_f, kcal/mol:	-152.41
Dipole, Da:	4.67
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(trifluoromethyl)phenanthrene-9-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1C)C)C(=O)OC)C2=CC=C(C=C2)Cl)C(=O)OC

DOS

IR

Vibrations