Geometry & MOs

Info

ID:	290962
PubChem CID:	111677725
Reduced:	FIO2N7C22H31 (1)
Stoich.:	ABC2D7E22F31 (1)
Weight, g/mol:	443.244501
ΔH_f, kcal/mol:	-53.37
Dipole, Da:	2.98
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCC(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations