Geometry & MOs

Info

ID:	135521
PubChem CID:	51885300
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	256.097368
ΔH_f, kcal/mol:	-70.69
Dipole, Da:	4.02
IP(EA), eV:	-8.33(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1CC3=C(OC=C3)C(=O)O

DOS

IR

Vibrations