Geometry & MOs

Info

ID:	15872
PubChem CID:	454009
Reduced:	ClOBr2N5C8H12 (1)
Stoich.:	ABC2D5E8F12 (1)
Weight, g/mol:	388.90766
ΔH_f, kcal/mol:	-60.17
Dipole, Da:	4.84
IP(EA), eV:	-9.37(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-6-chloropurin-9-yl)propan-2-ol;dihydrobromide

Drug info:

PubChemData

Smile

CC(CN1C=NC2=C1N=C(N=C2Cl)N)O.Br.Br

DOS

IR

Vibrations