Geometry & MOs

Info

ID:	257515
PubChem CID:	103146743
Reduced:	OCl2N2F3H7C8 (1)
Stoich.:	AB2C2D3E7F8 (1)
Weight, g/mol:	312.084097
ΔH_f, kcal/mol:	-161.82
Dipole, Da:	2.29
IP(EA), eV:	-10.58(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-6-phenylpyrimidine

Drug info:

PubChemData

Smile

C(COCC(F)F)C1=NC(=C(C(=N1)Cl)F)Cl

DOS

IR

Vibrations