Geometry & MOs

Info

ID:	160893
PubChem CID:	57390154
Reduced:	ClN7C19H28 (1)
Stoich.:	AB7C19D28 (1)
Weight, g/mol:	324.058499
ΔH_f, kcal/mol:	37.71
Dipole, Da:	1.56
IP(EA), eV:	-8.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3,5-bis(trifluoromethyl)phenyl]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCCCCNC1=NC(=NC(=N1)N2CCNCC2)NC3=C(C=CC(=C3)Cl)C

DOS

IR

Vibrations