Geometry & MOs

Info

ID:	296108
PubChem CID:	117556886
Reduced:	N5C12H21 (1)
Stoich.:	A5B12C21 (1)
Weight, g/mol:	250.190595
ΔH_f, kcal/mol:	20.14
Dipole, Da:	4.11
IP(EA), eV:	-8.78(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-dimethyl-N-(6-piperazin-1-ylpyrimidin-4-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCC(C)NC1=CC(=NC=N1)N2CCNCC2

DOS

IR

Vibrations