Geometry & MOs

Info

ID:	402543
PubChem CID:	135056334
Reduced:	OC17H26 (1)
Stoich.:	AB17C26 (1)
Weight, g/mol:	279.046235
ΔH_f, kcal/mol:	-51.69
Dipole, Da:	2.44
IP(EA), eV:	-9.34(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-2-(4-fluoroanilino)benzoate

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C(C=C)O

DOS

IR

Vibrations