Geometry & MOs

Info

ID:	267864
PubChem CID:	103589881
Reduced:	ClFN2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	241.101526
ΔH_f, kcal/mol:	-18.09
Dipole, Da:	1.51
IP(EA), eV:	-8.48(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4-fluoro-5-methylanilino)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations