Geometry & MOs

Info

ID:	21134
PubChem CID:	587311
Reduced:	ClO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	308.081537
ΔH_f, kcal/mol:	-153.05
Dipole, Da:	1.87
IP(EA), eV:	-9.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chlorobenzoyl)-3,3,5,5-tetramethyloxane-2,4-dione

Drug info:

PubChemData

Smile

CC1(C(OC(=O)C(C1=O)(C)C)C(=O)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations