Geometry & MOs

Info

ID:	210399
PubChem CID:	80800329
Reduced:	ClSN4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	263.210996
ΔH_f, kcal/mol:	32.54
Dipole, Da:	4.28
IP(EA), eV:	-8.45(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1-ethylpiperidin-3-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)NC(C)C2=CC=C(S2)C)Cl

DOS

IR

Vibrations