Geometry & MOs

Info

ID:	296119
PubChem CID:	117557166
Reduced:	N5C13H23 (1)
Stoich.:	A5B13C23 (1)
Weight, g/mol:	249.195346
ΔH_f, kcal/mol:	9.72
Dipole, Da:	3.09
IP(EA), eV:	-8.6(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methyl-N'-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N(C)CCN)NC2CCCC2

DOS

IR

Vibrations