Geometry & MOs

Info

ID:	210710
PubChem CID:	80843942
Reduced:	N5C15H21 (1)
Stoich.:	A5B15C21 (1)
Weight, g/mol:	297.081494
ΔH_f, kcal/mol:	35.44
Dipole, Da:	2.06
IP(EA), eV:	-8.54(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-N-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1CNC2=NC(=NC(=C2)NCC)N

DOS

IR

Vibrations