Geometry & MOs

Info

ID:	251395
PubChem CID:	103103690
Reduced:	ClO3N5C8H10 (1)
Stoich.:	AB3C5D8E10 (1)
Weight, g/mol:	254.068287
ΔH_f, kcal/mol:	-9.76
Dipole, Da:	3.46
IP(EA), eV:	-9.92(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C(=NC=N1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations