Geometry & MOs

Info

ID:	12873
PubChem CID:	147405
Reduced:	O2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	194.057909
ΔH_f, kcal/mol:	-133.44
Dipole, Da:	2.08
IP(EA), eV:	-10.51(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl acetate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC1=O)COC(=O)C

DOS

IR

Vibrations