Geometry & MOs

Info

ID:	59887
PubChem CID:	24902220
Reduced:	ClF2O2N3H4C10 (1)
Stoich.:	AB2C2D3E4F10 (1)
Weight, g/mol:	244.00151
ΔH_f, kcal/mol:	-31.4
Dipole, Da:	3.84
IP(EA), eV:	-10.88(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2,3,5-trifluorophenyl)pyrimidine

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1[N+](=O)[O-])F)F)C2=CC(=NC=N2)Cl

DOS

IR

Vibrations