Geometry & MOs

Info

ID:	267921
PubChem CID:	103590354
Reduced:	FN3C17H26 (1)
Stoich.:	AB3C17D26 (1)
Weight, g/mol:	261.12774
ΔH_f, kcal/mol:	-48.44
Dipole, Da:	3.91
IP(EA), eV:	-8.16(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1-N-[(2-methoxypyridin-4-yl)methyl]-5-methylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)N2CCC(CC2)CN3CCCC3

DOS

IR

Vibrations