Geometry & MOs

Info

ID:	342359
PubChem CID:	127265182
Reduced:	ClFNO3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-138.89
Dipole, Da:	2.67
IP(EA), eV:	-9.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-oxoprop-1-enyl]benzoic acid

Drug info:

PubChemData

Smile

C1CC1C=CC(=O)NC(CC(=O)O)C2=CC(=C(C=C2)Cl)F

DOS

IR

Vibrations