Geometry & MOs

Info

ID:	135520
PubChem CID:	51885299
Reduced:	NO3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-55.84
Dipole, Da:	7.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.107796
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations