Geometry & MOs

Info

ID:	395004
PubChem CID:	135024397
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	250.084124
ΔH_f, kcal/mol:	-119.56
Dipole, Da:	2.72
IP(EA), eV:	-10.14(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (10R)-1-methyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@H]1O[C@H]2CC(=O)C=C[C@]2(O1)C

DOS

IR

Vibrations