Geometry & MOs

Info

ID:	406870
PubChem CID:	135078814
Reduced:	O7C30H44 (1)
Stoich.:	A7B30C44 (1)
Weight, g/mol:	284.198759
ΔH_f, kcal/mol:	-302.62
Dipole, Da:	3.82
IP(EA), eV:	-9.6(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 2-pentylidenepropanedioate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]2[C@@H](C[C@H](O2)COCC3=CC=CC=C3)OC1(CC=CC/C=C\[C@@H](COC(=O)C(C)(C)C)O)OC

DOS

IR

Vibrations