Geometry & MOs

Info

ID:	216882
PubChem CID:	85086923
Reduced:	O5H16C18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	312.099774
ΔH_f, kcal/mol:	-124.54
Dipole, Da:	7.32
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C=CC2=CC=C(C=C2)C=O)C(=O)O)OC

DOS

IR

Vibrations