Geometry & MOs

Info

ID:	173160
PubChem CID:	75604995
Reduced:	ClNO2H15C16 (2)
Stoich.:	ABC2D15E16 (2)
Weight, g/mol:	366.08037
ΔH_f, kcal/mol:	-110.34
Dipole, Da:	10.73
IP(EA), eV:	-8.55(-0.76)
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;hydrobromide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C3CC(CN3CC4=CC=C(C=C4)C(=O)NCCC(=O)O)C5=CC(=CC(=C5)Cl)Cl

DOS

IR

Vibrations