Geometry & MOs

Info

ID:	13527
PubChem CID:	242073
Reduced:	BrSN3C8H10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	258.97788
ΔH_f, kcal/mol:	63.53
Dipole, Da:	1.26
IP(EA), eV:	-8.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aziridin-1-yl)-5-bromo-6-methyl-2-methylsulfanylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)SC)N2CC2)Br

DOS

IR

Vibrations