Geometry & MOs

Info

ID:	18451
PubChem CID:	541156
Reduced:	O6C31H46 (1)
Stoich.:	A6B31C46 (1)
Weight, g/mol:	514.329439
ΔH_f, kcal/mol:	-314.45
Dipole, Da:	4.28
IP(EA), eV:	-9.53(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetyloxy-3,7',9',13'-tetramethylspiro[2,3-dihydropyran-6,6'-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane]-16'-yl) acetate

Drug info:

PubChemData

Smile

CC1COC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)C)C)C)C)C(=C1)OC(=O)C

DOS

IR

Vibrations