Geometry & MOs

Info

ID:	290989
PubChem CID:	111677755
Reduced:	FION5C25H37 (1)
Stoich.:	ABCD5E25F37 (1)
Weight, g/mol:	441.290389
ΔH_f, kcal/mol:	-29.79
Dipole, Da:	3.63
IP(EA), eV:	-8.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]guanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=CC=C(C=C1)CN2CCCN(CC2)C)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations