Geometry & MOs

Info

ID:	148680
PubChem CID:	53788348
Reduced:	N3C13H13 (1)
Stoich.:	A3B13C13 (1)
Weight, g/mol:	382.235539
ΔH_f, kcal/mol:	59.42
Dipole, Da:	2.81
IP(EA), eV:	-8.43(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,5S)-2-(4-formyl-4-hydroxyoctylidene)-5-hydroxy-3-oxocyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2)CCC3=NC=CN3

DOS

IR

Vibrations