Geometry & MOs

Info

ID:	289144
PubChem CID:	104337517
Reduced:	FON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	-47.31
Dipole, Da:	5.88
IP(EA), eV:	-9.11(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)C2=CC=C(C=C2)F)COCC

DOS

IR

Vibrations