Geometry & MOs

Info

ID:	406310
PubChem CID:	135077200
Reduced:	O5C22H30 (1)
Stoich.:	A5B22C30 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-188.35
Dipole, Da:	6.05
IP(EA), eV:	-8.99(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-5-(2,6-dioxo-1-prop-2-enylcyclohexyl)pent-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](CCCC(=O)CCC=C)OC(=O)C1=C(C=C(C=C1OC)OC)CC=C

DOS

IR

Vibrations