Geometry & MOs

Info

ID:	379255
PubChem CID:	134356928
Reduced:	SN2C7H16 (1)
Stoich.:	AB2C7D16 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-4.75
Dipole, Da:	0.96
IP(EA), eV:	-8.63(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5-trimethyl-6-(2-methyl-4-oxopentan-2-yl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C)C)S

DOS

IR

Vibrations