Geometry & MOs

Info

ID:	296576
PubChem CID:	117584615
Reduced:	BrSN5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	237.195346
ΔH_f, kcal/mol:	66.9
Dipole, Da:	2.3
IP(EA), eV:	-9.07(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-aminoethyl)-6-N-(2,2-dimethylpropyl)-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=C(SC=C1Br)CNC2=NC=NC(=C2)NCCN

DOS

IR

Vibrations