Geometry & MOs

Info

ID:	59875
PubChem CID:	24902034
Reduced:	OCl2N2H12C17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	218.061076
ΔH_f, kcal/mol:	40.64
Dipole, Da:	4.41
IP(EA), eV:	-9.16(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2-ethylphenyl)pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=N3)Cl)Cl

DOS

IR

Vibrations