Geometry & MOs

Info

ID:	25007
PubChem CID:	616515
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-182.11
Dipole, Da:	5.05
IP(EA), eV:	-8.97(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4,5,7,8-pentamethyl-2-oxo-3H-chromen-6-yl) acetate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(=O)CC2(C)C)C)OC(=O)C)C

DOS

IR

Vibrations