Geometry & MOs

Info

ID:	374973
PubChem CID:	131408327
Reduced:	BO3N4C13H23 (1)
Stoich.:	AB3C4D13E23 (1)
Weight, g/mol:	276.175756
ΔH_f, kcal/mol:	-172.98
Dipole, Da:	4.14
IP(EA), eV:	-8.39(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azetidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C(=N2)OCCCN)N

DOS

IR

Vibrations