Geometry & MOs

Info

ID:	19909
PubChem CID:	574926
Reduced:	O5C14H22 (1)
Stoich.:	A5B14C22 (1)
Weight, g/mol:	270.146724
ΔH_f, kcal/mol:	-223.7
Dipole, Da:	3.61
IP(EA), eV:	-9.99(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-hydroxy-6-methyl-12,13-dioxatricyclo[7.3.1.01,6]tridecane-8-carboxylate

Drug info:

PubChemData

Smile

CC12CC(C3CCOC1(O3)CCCC2O)C(=O)OC

DOS

IR

Vibrations