Geometry & MOs

Info

ID:	291112
PubChem CID:	111677901
Reduced:	FION6C16H24 (1)
Stoich.:	ABCD6E16F24 (1)
Weight, g/mol:	334.191738
ΔH_f, kcal/mol:	-11.28
Dipole, Da:	2.22
IP(EA), eV:	-9.01(-0.23)
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

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=NC)NCC(C)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations