Geometry & MOs

Info

ID:	296469
PubChem CID:	117576782
Reduced:	ON5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	249.195346
ΔH_f, kcal/mol:	-26.5
Dipole, Da:	2.32
IP(EA), eV:	-8.8(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-6-(2-methylpiperazin-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)NC1=CC(=NC=N1)N2CCOCC2CN

DOS

IR

Vibrations