Geometry & MOs

Info

ID:	291094
PubChem CID:	111677883
Reduced:	FION5C21H37 (1)
Stoich.:	ABCD5E21F37 (1)
Weight, g/mol:	393.290389
ΔH_f, kcal/mol:	-64.16
Dipole, Da:	5.4
IP(EA), eV:	-8.3(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC(C)CNC(=NC)NCC(C)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations