Geometry & MOs

Info

ID:	275763
PubChem CID:	103817473
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-18.54
Dipole, Da:	0.98
IP(EA), eV:	-9.03(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclopentylpiperazin-1-yl)-6-methoxypyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)CNC2=CC(=NC(=N2)N)OC

DOS

IR

Vibrations