Geometry & MOs

Info

ID:	16199
PubChem CID:	461304
Reduced:	BClO2N4C12H16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	294.105484
ΔH_f, kcal/mol:	-96.88
Dipole, Da:	5.09
IP(EA), eV:	-9.71(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-[4-(1,3,2-dioxaborinan-2-yl)butyl]purine

Drug info:

PubChemData

Smile

B1(OCCCO1)CCCCN2C=NC3=C2N=CN=C3Cl

DOS

IR

Vibrations