Geometry & MOs

Info

ID:	291138
PubChem CID:	111677955
Reduced:	FIN3O4C22H31 (1)
Stoich.:	ABC3D4E22F31 (1)
Weight, g/mol:	411.207053
ΔH_f, kcal/mol:	-141.8
Dipole, Da:	6.04
IP(EA), eV:	-8.54(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-2-methylguanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCC1=C(C(=C(C=C1)OC)OC)OC)OC2=CC=C(C=C2)F.I

DOS

IR

Vibrations