Geometry & MOs

Info

ID:	48165
PubChem CID:	10537631
Reduced:	FO3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-117.56
Dipole, Da:	2.53
IP(EA), eV:	-9.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,6R)-4-(phenylmethoxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(O1)CC2=CC=C(C=C2)F

DOS

IR

Vibrations