Geometry & MOs

Info

ID:	210879
PubChem CID:	80867317
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	271.032396
ΔH_f, kcal/mol:	35.88
Dipole, Da:	5.4
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1OC2=CC=C(C=C2)CC#N)NCC

DOS

IR

Vibrations