Geometry & MOs

Info

ID:	35808
PubChem CID:	7980350
Reduced:	NO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	-104.77
Dipole, Da:	5.28
IP(EA), eV:	-8.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)[C@@H](C)OC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations