Geometry & MOs

Info

ID:	1012
PubChem CID:	3666
Reduced:	O5C22H32 (1)
Stoich.:	A5B22C32 (1)
Weight, g/mol:	376.224974
ΔH_f, kcal/mol:	-185.55
Dipole, Da:	2.91
IP(EA), eV:	-10.14(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,10,17,17-tetramethyl-14-methylidene-15-oxo-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-12-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CC2(C(O2)CCC3(C(O3)CC4CC(=O)C(=C)C1C4(C)C)C)C

DOS

IR

Vibrations