Geometry & MOs

Info

ID:	59872
PubChem CID:	24901922
Reduced:	FCl2N3H4C9 (1)
Stoich.:	AB2C3D4E9 (1)
Weight, g/mol:	291.978188
ΔH_f, kcal/mol:	25.66
Dipole, Da:	2.41
IP(EA), eV:	-10.25(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[2-chloro-4-(trifluoromethyl)phenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CN=C(N=C1C2=C(N=CC(=C2)F)Cl)Cl

DOS

IR

Vibrations