Geometry & MOs

Info

ID:	314778
PubChem CID:	126623046
Reduced:	ION4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	81.25
Dipole, Da:	2.83
IP(EA), eV:	-8.93(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-carbamoyl-5-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)indol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(NN=C3C=C2OC)I

DOS

IR

Vibrations