Geometry & MOs

Info

ID:	304646
PubChem CID:	124766014
Reduced:	O4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	258.089209
ΔH_f, kcal/mol:	-136.78
Dipole, Da:	3.87
IP(EA), eV:	-9.98(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6S,7R,7aS)-6-methyl-7-phenyl-4,6,7,7a-tetrahydro-3aH-2-benzofuran-1,3,5-trione

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]2[C@H](CC1=O)C(=O)OC2=O)C3=CC=CC=C3

DOS

IR

Vibrations