Geometry & MOs

Info

ID:	291139
PubChem CID:	111677958
Reduced:	FO2N5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	414.254338
ΔH_f, kcal/mol:	-16.78
Dipole, Da:	2.08
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]guanidine

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1=NN(C=C1)C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)F

DOS

IR

Vibrations