Geometry & MOs

Info

ID:	227778
PubChem CID:	87562468
Reduced:	FO4H16C20 (2)
Stoich.:	AB4C16D20 (2)
Weight, g/mol:	280.026662
ΔH_f, kcal/mol:	-315.39
Dipole, Da:	9.1
IP(EA), eV:	-8.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(trifluoromethyl)anthracene

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(CC=O)C5=CC=C(C=C5)F)O)O)O)O)O)O)C(CC=O)C6=CC=C(C=C6)F

DOS

IR

Vibrations