Geometry & MOs

Info

ID:	48572
PubChem CID:	11108648
Reduced:	O3C7H7 (2)
Stoich.:	A3B7C7 (2)
Weight, g/mol:	278.079038
ΔH_f, kcal/mol:	-235.01
Dipole, Da:	7.4
IP(EA), eV:	-10.42(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,7-dimethyl-6,8-dioxoisochromen-7-yl) ethyl carbonate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](OC([C@@H]2OC1=O)O)COC(=O)C3=CC=CC=C3

DOS

IR

Vibrations