Geometry & MOs

Info

ID:	372064
PubChem CID:	131292785
Reduced:	ClFNO2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	227.014934
ΔH_f, kcal/mol:	-84.92
Dipole, Da:	5.15
IP(EA), eV:	-10.74(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(chloromethyl)-2-cyano-4-fluorobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(C=C1)CCl)C#N)F

DOS

IR

Vibrations