Geometry & MOs

Info

ID:	35782
PubChem CID:	7980319
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-125.82
Dipole, Da:	1.48
IP(EA), eV:	-7.86(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations