Geometry & MOs

Info

ID:	296109
PubChem CID:	117556891
Reduced:	N3C6H11 (2)
Stoich.:	A3B6C11 (2)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	40.28
Dipole, Da:	3.39
IP(EA), eV:	-8.58(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-6-piperazin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=NC=N1)N2CCNCC2

DOS

IR

Vibrations