Geometry & MOs

Info

ID:	211399
PubChem CID:	80944662
Reduced:	ON5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	293.221561
ΔH_f, kcal/mol:	1.89
Dipole, Da:	6.49
IP(EA), eV:	-8.91(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-amino-2-propylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CCOCCCNC1=NC(=NC=C1)NN

DOS

IR

Vibrations