Geometry & MOs

Info

ID:	290969
PubChem CID:	111677735
Reduced:	FIN3O3C19H23 (1)
Stoich.:	ABC3D3E19F23 (1)
Weight, g/mol:	359.16452
ΔH_f, kcal/mol:	-89.46
Dipole, Da:	3.33
IP(EA), eV:	-8.52(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=CC2=C(C=C1)OCO2)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations