Geometry & MOs

Info

ID:	260458
PubChem CID:	103192424
Reduced:	BrN5C12H22 (1)
Stoich.:	AB5C12D22 (1)
Weight, g/mol:	297.198717
ΔH_f, kcal/mol:	30.25
Dipole, Da:	3.4
IP(EA), eV:	-8.47(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(dimethylamino)propan-2-yl]-4-N,6-N-diethyl-2-methylsulfanylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCN(C1=NC(=NC=C1Br)NC)C(C)CN(C)C

DOS

IR

Vibrations