Geometry & MOs

Info

ID:	210711
PubChem CID:	80843943
Reduced:	ClSN5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	277.136117
ΔH_f, kcal/mol:	49.86
Dipole, Da:	4.11
IP(EA), eV:	-8.59(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC(C1=NC=CS1)NC2=NC(=NC=C2Cl)NCC

DOS

IR

Vibrations