Geometry & MOs

Info

ID:	290974
PubChem CID:	111677740
Reduced:	FO2N4C19H29 (1)
Stoich.:	AB2C4D19E29 (1)
Weight, g/mol:	462.10403
ΔH_f, kcal/mol:	-92.51
Dipole, Da:	2.3
IP(EA), eV:	-8.77(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1CN2CCCC2CO1)OC3=CC=C(C=C3)F

DOS

IR

Vibrations