Geometry & MOs

Info

ID:	436532
PubChem CID:	135205002
Reduced:	FO3N6H29C31 (1)
Stoich.:	AB3C6D29E31 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-35.85
Dipole, Da:	2.93
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-imidazol-1-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(C=CC=C1N2C=CC3=CC(=CC(=C3C2=O)F)C4CC4)C5=C6C(=NC=C5)NN=C6NC7CCNC7

DOS

IR

Vibrations