Geometry & MOs

Info

ID:	267859
PubChem CID:	103589816
Reduced:	FON2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	231.117176
ΔH_f, kcal/mol:	-86.27
Dipole, Da:	3.74
IP(EA), eV:	-7.94(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCCNC1=C(C=C(C(=C1)C)F)N

DOS

IR

Vibrations