Geometry & MOs

Info

ID:	267737
PubChem CID:	103587105
Reduced:	ClNOF2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	278.086684
ΔH_f, kcal/mol:	-100.73
Dipole, Da:	0.84
IP(EA), eV:	-9.23(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(2,5-difluoro-4-methylanilino)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1F)C(=CC(=N2)COC)Cl)F

DOS

IR

Vibrations