Geometry & MOs

Info

ID:	19254
PubChem CID:	559123
Reduced:	O5C14H20 (1)
Stoich.:	A5B14C20 (1)
Weight, g/mol:	268.131074
ΔH_f, kcal/mol:	-166.13
Dipole, Da:	7.0
IP(EA), eV:	-10.03(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(oxan-2-yloxy)-4,6-dioxatricyclo[5.3.1.03,8]undecan-5-one

Drug info:

PubChemData

Smile

C1CCOC(C1)OC2CC3CC4C2C(C3)OC(=O)O4

DOS

IR

Vibrations