Geometry & MOs

Info

ID:	267865
PubChem CID:	103589882
Reduced:	FN3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	294.01679
ΔH_f, kcal/mol:	22.8
Dipole, Da:	4.01
IP(EA), eV:	-8.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(4-bromophenyl)-4-fluoro-5-methylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NC2=CC=CC=C2C#N

DOS

IR

Vibrations