Geometry & MOs

Info

ID:	296107
PubChem CID:	117556885
Reduced:	N5C12H21 (1)
Stoich.:	A5B12C21 (1)
Weight, g/mol:	235.179696
ΔH_f, kcal/mol:	22.93
Dipole, Da:	3.69
IP(EA), eV:	-8.74(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-6-piperazin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CNC1=CC(=NC=N1)N2CCNCC2

DOS

IR

Vibrations