Geometry & MOs

Info

ID:	374972
PubChem CID:	131408321
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	294.186321
ΔH_f, kcal/mol:	-24.09
Dipole, Da:	3.65
IP(EA), eV:	-8.25(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=C1)N(C)C)C=O

DOS

IR

Vibrations