Geometry & MOs

Info

ID:	287723
PubChem CID:	104252822
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	267.174691
ΔH_f, kcal/mol:	-25.71
Dipole, Da:	3.06
IP(EA), eV:	-9.0(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-methyl-2-(oxan-2-ylmethyl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)C2CC2)CC3CCCCO3

DOS

IR

Vibrations