Geometry & MOs

Info

ID:	208526
PubChem CID:	80540425
Reduced:	ClN2O2F3C11H12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	252.066555
ΔH_f, kcal/mol:	-240.11
Dipole, Da:	6.1
IP(EA), eV:	-9.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-cyanoanilino)-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CCNC1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)O

DOS

IR

Vibrations