Geometry & MOs

Info

ID:	325643
PubChem CID:	126684306
Reduced:	O2N7C13H21 (1)
Stoich.:	A2B7C13D21 (1)
Weight, g/mol:	475.200174
ΔH_f, kcal/mol:	8.51
Dipole, Da:	5.06
IP(EA), eV:	-8.62(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(2-methylsulfonylphenyl)methyl]-5-morpholin-4-yltriazolo[4,5-d]pyrimidin-7-yl]-propylamino]ethanol

Drug info:

PubChemData

Smile

CCCN(CCO)C1=NC(=NC2=NNN=C21)N3CCOCC3

DOS

IR

Vibrations