Geometry & MOs

Info

ID:	51187
PubChem CID:	12013822
Reduced:	O2H14C17 (1)
Stoich.:	A2B14C17 (1)
Weight, g/mol:	174.06808
ΔH_f, kcal/mol:	-9.02
Dipole, Da:	5.03
IP(EA), eV:	-9.63(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](C2(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O1

DOS

IR

Vibrations