Geometry & MOs

Info

ID:	290955
PubChem CID:	111677717
Reduced:	FION7C24H29 (1)
Stoich.:	ABCD7E24F29 (1)
Weight, g/mol:	449.233937
ΔH_f, kcal/mol:	42.03
Dipole, Da:	5.63
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCC1=NN(C(=C1C#N)N)C2=CC=CC=C2)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations