Geometry & MOs

Info

ID:	289189
PubChem CID:	104339341
Reduced:	ON4C15H28 (1)
Stoich.:	AB4C15D28 (1)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-45.88
Dipole, Da:	4.27
IP(EA), eV:	-8.6(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-butan-2-yl-2-(ethoxymethyl)-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)COCC)N(CC)CCC

DOS

IR

Vibrations