Geometry & MOs

Info

ID:	267739
PubChem CID:	103587168
Reduced:	F2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	277.102668
ΔH_f, kcal/mol:	-140.84
Dipole, Da:	1.22
IP(EA), eV:	-8.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(2,5-difluoro-4-methylanilino)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NC2=CC=CC(=C2N)C(=O)OC)F

DOS

IR

Vibrations