Geometry & MOs

Info

ID:	267915
PubChem CID:	103590318
Reduced:	FN3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	210.153227
ΔH_f, kcal/mol:	18.69
Dipole, Da:	2.1
IP(EA), eV:	-8.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NC2=CC3=C(C=C2)N=CC=C3

DOS

IR

Vibrations