Geometry & MOs

Info

ID:	1671
PubChem CID:	4852
Reduced:	NO4C25H33 (1)
Stoich.:	AB4C25D33 (1)
Weight, g/mol:	411.240959
ΔH_f, kcal/mol:	-160.76
Dipole, Da:	5.14
IP(EA), eV:	-8.47(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-hydroxy-4-(3-hydroxyoct-1-enyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-2-yl]butanoic acid

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C(CC2=C1C=C(N2C3=CC=CC=C3)CCCC(=O)O)O)O

DOS

IR

Vibrations