Geometry & MOs

Info

ID:	150644
PubChem CID:	53790338
Reduced:	NOC23H39 (1)
Stoich.:	ABC23D39 (1)
Weight, g/mol:	322.250795
ΔH_f, kcal/mol:	-91.22
Dipole, Da:	2.15
IP(EA), eV:	-8.72(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13R)-13-hydroxyicosa-2,4,6-trienoic acid

Drug info:

PubChemData

Smile

C[C@@]12CCC[C@H]1[C@@H]3CCC4CC[C@@H](C[C@@]4([C@H]3CC2)C)N5CCOCC5

DOS

IR

Vibrations