Geometry & MOs

Info

ID:	296628
PubChem CID:	117586130
Reduced:	N6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	247.179696
ΔH_f, kcal/mol:	62.43
Dipole, Da:	4.81
IP(EA), eV:	-8.33(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclobutyl-2-methyl-6-piperazin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCNCC2)NC3=CNC=C3

DOS

IR

Vibrations