Geometry & MOs

Info

ID:	381998
PubChem CID:	134972895
Reduced:	O7C18H22 (1)
Stoich.:	A7B18C22 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-276.16
Dipole, Da:	6.05
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-2-methyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2CC3=C(C(=CC(=C3)OC)OC)C(=C2C(=O)O1)O)OCOC

DOS

IR

Vibrations