Geometry & MOs

Info

ID:	221212
PubChem CID:	85257278
Reduced:	PO4C15H23 (1)
Stoich.:	AB4C15D23 (1)
Weight, g/mol:	298.141638
ΔH_f, kcal/mol:	-219.81
Dipole, Da:	5.84
IP(EA), eV:	-8.78(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,2-bis(methoxycarbonyl)cyclopentylidene]hexanoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(CC=CC1=CC(=CC(=C1)C)OC)OCC

DOS

IR

Vibrations