Geometry & MOs

Info

ID:	267866
PubChem CID:	103589883
Reduced:	BrFN2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	224.168877
ΔH_f, kcal/mol:	-6.53
Dipole, Da:	1.59
IP(EA), eV:	-8.52(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1-N,5-dimethyl-1-N-(2-methylbutyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations