Geometry & MOs

Info

ID:	327711
PubChem CID:	126690836
Reduced:	O5H12C14 (1)
Stoich.:	A5B12C14 (1)
Weight, g/mol:	250.047738
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	2.07
IP(EA), eV:	-8.75(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-2-yl)oxy]ethyl propanoate

Drug info:

PubChemData

Smile

CC(CC1=C2C=C3C(=C1OC3=O)O2)OC(=O)C(=C)C

DOS

IR

Vibrations