Geometry & MOs

Info

ID:	246047
PubChem CID:	103037669
Reduced:	ClFON2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	302.072115
ΔH_f, kcal/mol:	-12.89
Dipole, Da:	5.67
IP(EA), eV:	-8.71(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(3-chloro-4-fluorophenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1COC2=C(C=C(C=C2)N)C#N)Cl)F

DOS

IR

Vibrations