Geometry & MOs

Info

ID:	409616
PubChem CID:	135082398
Reduced:	O2H7C8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	298.084124
ΔH_f, kcal/mol:	-109.21
Dipole, Da:	6.04
IP(EA), eV:	-8.84(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,8,12-trimethyl-10,11-dioxo-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13)-pentaene-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C2C3=C1C(=COC3=C(C(=O)C2=O)C)CO)C

DOS

IR

Vibrations