Geometry & MOs

Info

ID:	319393
PubChem CID:	126655856
Reduced:	ClFO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	308.037085
ΔH_f, kcal/mol:	-80.46
Dipole, Da:	6.48
IP(EA), eV:	-9.56(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-3-(2,6-dichlorophenyl)cyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=O)C1=O)C2=C(C=CC=C2Cl)F

DOS

IR

Vibrations