Geometry & MOs

Info

ID:	173162
PubChem CID:	75604997
Reduced:	OBr2N6C14H20 (1)
Stoich.:	AB2C6D14E20 (1)
Weight, g/mol:	688.319377
ΔH_f, kcal/mol:	-46.23
Dipole, Da:	2.68
IP(EA), eV:	-8.57(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;but-2-enedioic acid

Drug info:

PubChemData

Smile

C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO.Br.Br

DOS

IR

Vibrations