Geometry & MOs

Info

ID:	407473
PubChem CID:	135080189
Reduced:	ClNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-34.52
Dipole, Da:	3.87
IP(EA), eV:	-9.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-(2-methylbutan-2-yl)cyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC=C(C=C1)Cl)NC(=O)C

DOS

IR

Vibrations