Geometry & MOs

Info

ID:	290975
PubChem CID:	111677741
Reduced:	FION6C16H24 (1)
Stoich.:	ABCD6E16F24 (1)
Weight, g/mol:	334.191738
ΔH_f, kcal/mol:	-9.21
Dipole, Da:	4.22
IP(EA), eV:	-9.04(-0.25)
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

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)CNC(=NC)NCC(C)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations