Geometry & MOs

Info

ID:	325642
PubChem CID:	126684304
Reduced:	O3N7C21H29 (1)
Stoich.:	A3B7C21D29 (1)
Weight, g/mol:	307.175673
ΔH_f, kcal/mol:	-20.54
Dipole, Da:	2.76
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-7-yl)-propylamino]ethanol

Drug info:

PubChemData

Smile

CCCN(CCO)C1=NC(=NC2=C1N=NN2CC3=CC=C(C=C3)OC)N4CCOCC4

DOS

IR

Vibrations