Geometry & MOs

Info

ID:	291154
PubChem CID:	111678051
Reduced:	FION7C22H33 (1)
Stoich.:	ABCD7E22F33 (1)
Weight, g/mol:	429.265237
ΔH_f, kcal/mol:	-19.32
Dipole, Da:	10.5
IP(EA), eV:	-7.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCN1CCN(CC1)C2=NC=CC=N2)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations