Geometry & MOs

Info

ID:	290988
PubChem CID:	111677754
Reduced:	FO2N4C22H29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	569.20269
ΔH_f, kcal/mol:	-79.85
Dipole, Da:	5.46
IP(EA), eV:	-8.77(-0.55)
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;hydroiodide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1)CNC(=NC)NCC(C)OC2=CC=C(C=C2)F

DOS

IR

Vibrations