Geometry & MOs

Info

ID:	446857
PubChem CID:	135278249
Reduced:	N2O2F3H13C15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	287.046154
ΔH_f, kcal/mol:	-210.11
Dipole, Da:	7.94
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4-chloroanilino)-5-cyanobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2)C(F)(F)F)C(=O)O)N

DOS

IR

Vibrations