Geometry & MOs

Info

ID:	304645
PubChem CID:	124766013
Reduced:	O4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	258.089209
ΔH_f, kcal/mol:	-138.53
Dipole, Da:	6.18
IP(EA), eV:	-9.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6S,7S,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