Geometry & MOs

Info

ID:	372065
PubChem CID:	131292789
Reduced:	ClFNO2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	227.014934
ΔH_f, kcal/mol:	-84.01
Dipole, Da:	3.93
IP(EA), eV:	-10.61(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations