Geometry & MOs

Info

ID:	289105
PubChem CID:	104336178
Reduced:	ClO2N3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	281.073118
ΔH_f, kcal/mol:	-65.14
Dipole, Da:	4.11
IP(EA), eV:	-9.3(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(4-fluorophenyl)-2-(methoxymethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(CNC1=CC(=NC(=N1)COC)Cl)COC

DOS

IR

Vibrations