Geometry & MOs

Info

ID:	18330
PubChem CID:	539658
Reduced:	O2C14H19 (2)
Stoich.:	A2B14C19 (2)
Weight, g/mol:	438.27701
ΔH_f, kcal/mol:	-222.94
Dipole, Da:	0.91
IP(EA), eV:	-8.88(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5',7,9-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(12),13(18),19-triene-6,2'-oxane]-16-yl) acetate

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CCC5=C4C=CC6=C5CCC(C6)OC(=O)C)C)C)OC1

DOS

IR

Vibrations