Geometry & MOs

Info

ID:	59877
PubChem CID:	24902174
Reduced:	OCl2N2H10C12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	266.025833
ΔH_f, kcal/mol:	6.05
Dipole, Da:	4.64
IP(EA), eV:	-9.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(6-chloropyrimidin-4-yl)-2-fluorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=CC(=NC=N2)Cl)Cl

DOS

IR

Vibrations