Geometry & MOs

Info

ID:	289274
PubChem CID:	104343124
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	336.05857
ΔH_f, kcal/mol:	-28.03
Dipole, Da:	5.44
IP(EA), eV:	-8.73(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-bromo-5-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)N2CC3CCCC3C2)N

DOS

IR

Vibrations