Geometry & MOs

Info

ID:	381063
PubChem CID:	134971693
Reduced:	O5C18H30 (1)
Stoich.:	A5B18C30 (1)
Weight, g/mol:	206.203451
ΔH_f, kcal/mol:	-249.33
Dipole, Da:	2.31
IP(EA), eV:	-9.83(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5S,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecane

Drug info:

PubChemData

Smile

CCOC(=O)C1(C=C[C@](C[C@@H]1C)(C)[C@@H](C(C)C)O)C(=O)OCC

DOS

IR

Vibrations