Geometry & MOs

Info

ID:	49089
PubChem CID:	11528698
Reduced:	O5C11H14 (1)
Stoich.:	A5B11C14 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-219.67
Dipole, Da:	5.69
IP(EA), eV:	-10.27(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(=O)O[C@]12CO[C@@H]3[C@H]1[C@@H]4C[C@H]2O[C@@H](C4)O3

DOS

IR

Vibrations