Geometry & MOs

Info

ID:	16198
PubChem CID:	461303
Reduced:	BCl2O2N4C9H11 (1)
Stoich.:	AB2C2D4E9F11 (1)
Weight, g/mol:	288.035211
ΔH_f, kcal/mol:	-99.06
Dipole, Da:	3.62
IP(EA), eV:	-9.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dichloropurin-9-yl)butylboronic acid

Drug info:

PubChemData

Smile

B(CCCCN1C=NC2=C1N=C(N=C2Cl)Cl)(O)O

DOS

IR

Vibrations