Geometry & MOs

Info

ID:	9873
PubChem CID:	94230
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-63.58
Dipole, Da:	2.82
IP(EA), eV:	-8.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N

DOS

IR

Vibrations