Geometry & MOs

Info

ID:	393174
PubChem CID:	135019622
Reduced:	O2C10H15 (2)
Stoich.:	A2B10C15 (2)
Weight, g/mol:	416.256274
ΔH_f, kcal/mol:	-192.36
Dipole, Da:	3.81
IP(EA), eV:	-9.57(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,8S,10R,11R)-1,5,5-trimethyl-9-oxo-10-(2-oxopropyl)-6-oxatricyclo[6.3.2.04,13]tridecan-11-yl]ethenyl 3-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC(=O)C[C@@H]1[C@H]([C@]2(CCC3C(C2)[C@H](C1=O)COC3(C)C)C)CC=O

DOS

IR

Vibrations