Geometry & MOs

Info

ID:	210586
PubChem CID:	80826433
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	261.195346
ΔH_f, kcal/mol:	69.87
Dipole, Da:	1.93
IP(EA), eV:	-8.18(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-cyclopentylpiperazin-1-yl)-5-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=CC=C1)NCC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations