Geometry & MOs

Info

ID:	16204
PubChem CID:	461453
Reduced:	ClNO2F3H11C17 (1)
Stoich.:	ABC2D3E11F17 (1)
Weight, g/mol:	353.043041
ΔH_f, kcal/mol:	-163.13
Dipole, Da:	3.07
IP(EA), eV:	-9.16(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[2-(trifluoromethyl)anilino]-4a,8a-dihydronaphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)NC2=C(C(=O)C3C=CC=CC3C2=O)Cl

DOS

IR

Vibrations