Geometry & MOs

Info

ID:	267895
PubChem CID:	103590217
Reduced:	FSN3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	226.148141
ΔH_f, kcal/mol:	-1.73
Dipole, Da:	2.2
IP(EA), eV:	-8.55(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)N(C)CC2=CSC(=N2)C

DOS

IR

Vibrations