Geometry & MOs

Info

ID:	289258
PubChem CID:	104341998
Reduced:	O2F3N4C12H19 (1)
Stoich.:	A2B3C4D12E19 (1)
Weight, g/mol:	292.226312
ΔH_f, kcal/mol:	-220.56
Dipole, Da:	4.92
IP(EA), eV:	-9.02(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,4-dimethylcyclohexyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)NCCOCC(F)(F)F)NC

DOS

IR

Vibrations