Geometry & MOs

Info

ID:	19996
PubChem CID:	576469
Reduced:	O4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	258.089209
ΔH_f, kcal/mol:	-134.48
Dipole, Da:	4.41
IP(EA), eV:	-9.91(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-7-phenyl-4,6,7,7a-tetrahydro-3aH-2-benzofuran-1,3,5-trione

Drug info:

PubChemData

Smile

CC1C(C2C(CC1=O)C(=O)OC2=O)C3=CC=CC=C3

DOS

IR

Vibrations