Geometry & MOs

Info

ID:	210234
PubChem CID:	80778568
Reduced:	O2N5C13H25 (1)
Stoich.:	A2B5C13D25 (1)
Weight, g/mol:	291.242296
ΔH_f, kcal/mol:	-86.3
Dipole, Da:	1.56
IP(EA), eV:	-9.3(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-tert-butylpiperazin-1-yl)-N-methyl-5-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)OC(C)C)NC(C)(C)CO

DOS

IR

Vibrations