Geometry & MOs

Info

ID:	28695
PubChem CID:	829013
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	293.105193
ΔH_f, kcal/mol:	-42.79
Dipole, Da:	7.1
IP(EA), eV:	-8.64(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)CCC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations