Geometry & MOs

Info

ID:	337324
PubChem CID:	127257006
Reduced:	ClON4H11C12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	260.096106
ΔH_f, kcal/mol:	42.82
Dipole, Da:	3.86
IP(EA), eV:	-8.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoroanilino)ethyl pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)NNNC2=CC=C(C=C2)Cl

DOS

IR

Vibrations