Geometry & MOs

Info

ID:	204434
PubChem CID:	79965345
Reduced:	BrClOSN2C12H16 (1)
Stoich.:	ABCDE2F12G16 (1)
Weight, g/mol:	269.10204
ΔH_f, kcal/mol:	-20.6
Dipole, Da:	2.06
IP(EA), eV:	-8.81(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-dithian-2-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=NC(=N1)C2CSCCO2)Cl)Br

DOS

IR

Vibrations