Geometry & MOs

Info

ID:	51185
PubChem CID:	12013820
Reduced:	OC4H6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	188.08373
ΔH_f, kcal/mol:	-78.48
Dipole, Da:	5.39
IP(EA), eV:	-10.79(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,6R)-6-methyl-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations