Geometry & MOs

Info

ID:	263385
PubChem CID:	103360982
Reduced:	OSN3C14H25 (1)
Stoich.:	ABC3D14E25 (1)
Weight, g/mol:	234.093918
ΔH_f, kcal/mol:	-34.9
Dipole, Da:	4.51
IP(EA), eV:	-8.33(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-N-[(3-methylpyridin-2-yl)methyl]-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

CCC(C1CCCCC1)NC2=C(C(=NS2)N)OCC

DOS

IR

Vibrations