Geometry & MOs

Info

ID:	430433
PubChem CID:	135170497
Reduced:	N2F3C8H9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	178.010932
ΔH_f, kcal/mol:	-121.41
Dipole, Da:	4.57
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[chloro(difluoro)methyl]-6-methylpyrimidine

Drug info:

PubChemData

Smile

CNNC1=CC=CC(=C1)C(F)(F)F

DOS

IR

Vibrations