Geometry & MOs

Info

ID:	21051
PubChem CID:	587040
Reduced:	O2C17H24 (2)
Stoich.:	A2B17C24 (2)
Weight, g/mol:	520.35526
ΔH_f, kcal/mol:	-215.54
Dipole, Da:	2.84
IP(EA), eV:	-9.49(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl) benzoate

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)C7=CC=CC=C7)C)C)C)OC1

DOS

IR

Vibrations