Geometry & MOs

Info

ID:	210194
PubChem CID:	80773231
Reduced:	SN6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	287.154624
ΔH_f, kcal/mol:	65.07
Dipole, Da:	2.04
IP(EA), eV:	-8.72(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=N1)N2CCCCC2)NCC3=CC=CS3

DOS

IR

Vibrations