Geometry & MOs

Info

ID:	385641
PubChem CID:	134979617
Reduced:	NO5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	570.240624
ΔH_f, kcal/mol:	-266.91
Dipole, Da:	7.31
IP(EA), eV:	-10.3(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl (3E,4E)-3-[1-(2-benzoylphenyl)ethylidene]-4-ethylidenecyclopentane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1[C@@H](CCC[C@@H]1O)C(=O)O

DOS

IR

Vibrations