Geometry & MOs

Info

ID:	291111
PubChem CID:	111677900
Reduced:	FO2N4C18H27 (1)
Stoich.:	AB2C4D18E27 (1)
Weight, g/mol:	462.10403
ΔH_f, kcal/mol:	-86.52
Dipole, Da:	6.53
IP(EA), eV:	-9.2(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCC(=O)NC1CC1)OC2=CC=C(C=C2)F

DOS

IR

Vibrations