Geometry & MOs

Info

ID:	261495
PubChem CID:	103236443
Reduced:	ClFN2O2C9H10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	279.046235
ΔH_f, kcal/mol:	-114.67
Dipole, Da:	3.84
IP(EA), eV:	-9.17(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloro-2-fluoroanilino)methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)F)NCC(C(=O)O)N

DOS

IR

Vibrations