Geometry & MOs

Info

ID:	13578
PubChem CID:	301196
Reduced:	O4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	310.120509
ΔH_f, kcal/mol:	-47.83
Dipole, Da:	6.63
IP(EA), eV:	-9.59(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-1,5-diphenyl-2,4-dioxabicyclo[3.2.0]heptan-3-one

Drug info:

PubChemData

Smile

CCOC1CC2(C1(OC(=O)O2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations