Geometry & MOs

Info

ID:	218590
PubChem CID:	85089655
Reduced:	O3H13C15 (2)
Stoich.:	A3B13C15 (2)
Weight, g/mol:	482.172939
ΔH_f, kcal/mol:	-166.78
Dipole, Da:	9.78
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-oxo-4,5,7-triphenyl-1,6,7,7a-tetrahydro-2-benzofuran-3a,6-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC2C(C(C1)C3=C(C=C(C=C3)O)OC)C(OC4=C2C=C5C=CC(=O)OC5=C4)C6=CC=C(C=C6)O

DOS

IR

Vibrations