Geometry & MOs

Info

ID:	210595
PubChem CID:	80828582
Reduced:	BrSN5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	235.089167
ΔH_f, kcal/mol:	60.3
Dipole, Da:	4.21
IP(EA), eV:	-8.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)NCCC2=NC=CS2)Br

DOS

IR

Vibrations