Geometry & MOs

Info

ID:	26313
PubChem CID:	644073
Reduced:	NO4C29H41 (1)
Stoich.:	AB4C29D41 (1)
Weight, g/mol:	264.172545
ΔH_f, kcal/mol:	-157.61
Dipole, Da:	2.23
IP(EA), eV:	-8.54(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)hexanoic acid

Drug info:

PubChemData

Smile

C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O

DOS

IR

Vibrations