Geometry & MOs

Info

ID:	59884
PubChem CID:	24902203
Reduced:	ClFON2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	246.092376
ΔH_f, kcal/mol:	-11.98
Dipole, Da:	2.99
IP(EA), eV:	-10.31(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[4-(2-methylpropyl)phenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC(=NC=N2)Cl)C=O)F

DOS

IR

Vibrations