Geometry & MOs

Info

ID:	148987
PubChem CID:	53788658
Reduced:	NI2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	74.06
Dipole, Da:	1.84
IP(EA), eV:	-9.24(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2S)-2-octyl-5-oxocyclopentyl]hepta-2,4-dienoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=CC(=C2I)CCN)I

DOS

IR

Vibrations