Geometry & MOs

Info

ID:	47860
PubChem CID:	10535666
Reduced:	O6C7H10 (1)
Stoich.:	A6B7C10 (1)
Weight, g/mol:	190.062994
ΔH_f, kcal/mol:	-235.07
Dipole, Da:	4.21
IP(EA), eV:	-10.41(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-3-[(2R)-oxiran-2-yl]oxiran-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H](C(=O)O[C@H]1OC)OC=O

DOS

IR

Vibrations