Geometry & MOs

Info

ID:	288936
PubChem CID:	104328692
Reduced:	ClFNC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	279.072928
ΔH_f, kcal/mol:	-15.6
Dipole, Da:	3.42
IP(EA), eV:	-9.92(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-5-(4-fluoro-2-methylphenyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCC/C(=C(\C1=C(C=C(C=C1)F)C)/Cl)/C#N

DOS

IR

Vibrations