Geometry & MOs

Info

ID:	37015
PubChem CID:	8016143
Reduced:	NO5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	321.109999
ΔH_f, kcal/mol:	-189.83
Dipole, Da:	6.18
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-3-(1H-indol-3-yl)-2-(7H-purin-6-ylamino)propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CC(=O)NCCCO

DOS

IR

Vibrations