Geometry & MOs

Info

ID:	284682
PubChem CID:	104060754
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	338.043
ΔH_f, kcal/mol:	23.48
Dipole, Da:	2.11
IP(EA), eV:	-8.25(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-fluorophenyl)methyl]-3-propoxypyridin-2-amine

Drug info:

PubChemData

Smile

CCCOC1=C(N=CC=C1)NCC2=NC=CS2

DOS

IR

Vibrations