Geometry & MOs

Info

ID:	195503
PubChem CID:	78695016
Reduced:	ON3C20H24 (1)
Stoich.:	AB3C20D24 (1)
Weight, g/mol:	321.184112
ΔH_f, kcal/mol:	29.99
Dipole, Da:	5.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.111820
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-indol-3-yl)ethyl]-2-(1-phenylethylamino)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)[NH2+]CC(=O)NCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations