Geometry & MOs

Info

ID:	409617
PubChem CID:	135082399
Reduced:	O5H14C17 (1)
Stoich.:	A5B14C17 (1)
Weight, g/mol:	314.115424
ΔH_f, kcal/mol:	-143.4
Dipole, Da:	6.08
IP(EA), eV:	-8.92(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=COC3=C(C(=O)C(=O)C1=C23)C)C)C(=O)OC

DOS

IR

Vibrations