Geometry & MOs

Info

ID:	59878
PubChem CID:	24902185
Reduced:	ClFN2O2H8C12 (1)
Stoich.:	ABC2D2E8F12 (1)
Weight, g/mol:	262.087291
ΔH_f, kcal/mol:	-67.27
Dipole, Da:	0.76
IP(EA), eV:	-10.45(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[3-(2-methylpropoxy)phenyl]pyrimidine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)C2=CC(=NC=N2)Cl)F

DOS

IR

Vibrations