Geometry & MOs

Info

ID:	188707
PubChem CID:	77757981
Reduced:	O2N3C8H9 (2)
Stoich.:	A2B3C8D9 (2)
Weight, g/mol:	390.184252
ΔH_f, kcal/mol:	-116.59
Dipole, Da:	6.46
IP(EA), eV:	-9.34(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[3-(3-fluoro-4-methoxyphenyl)-3-oxoprop-1-enyl]-5-oxocyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1C(=O)O)CC2=CC3=C(C=C2)C(=NC=N3)N)C(=O)N

DOS

IR

Vibrations