Geometry & MOs

Info

ID:	289187
PubChem CID:	104339140
Reduced:	OF3N4C8H11 (1)
Stoich.:	AB3C4D8E11 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-172.54
Dipole, Da:	3.42
IP(EA), eV:	-9.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclopropyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)NCC(F)(F)F)N

DOS

IR

Vibrations