Geometry & MOs

Info

ID:	14492
PubChem CID:	413264
Reduced:	ClON5H8C10 (1)
Stoich.:	ABC5D8E10 (1)
Weight, g/mol:	249.041738
ΔH_f, kcal/mol:	92.8
Dipole, Da:	6.85
IP(EA), eV:	-9.88(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(furan-2-ylmethyl)-5H-purin-6-amine

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC2=NC(=NC3=NC=NC32)Cl

DOS

IR

Vibrations