Geometry & MOs

Info

ID:	174139
PubChem CID:	75729608
Reduced:	BrN2O2C29H41 (1)
Stoich.:	AB2C2D29E41 (1)
Weight, g/mol:	321.109999
ΔH_f, kcal/mol:	-109.91
Dipole, Da:	1.96
IP(EA), eV:	-9.38(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(C(C1=C(C=C(C=C1)C)C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations