Geometry & MOs

Info

ID:	48501
PubChem CID:	10588812
Reduced:	OC3H4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	280.109944
ΔH_f, kcal/mol:	-120.44
Dipole, Da:	3.72
IP(EA), eV:	-9.34(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,9aR)-4-hydroxy-4-phenyl-1,3a,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)[C@@H]([C@H](C)OCC1=CC=CC=C1)OO

DOS

IR

Vibrations