Geometry & MOs

Info

ID:	33102
PubChem CID:	7851320
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-106.52
Dipole, Da:	4.93
IP(EA), eV:	-8.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)O[C@@H](C)C(=O)NC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations