Geometry & MOs

Info

ID:	291100
PubChem CID:	111677889
Reduced:	FIO2N3C23H31 (1)
Stoich.:	ABC2D3E23F31 (1)
Weight, g/mol:	399.232205
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	3.08
IP(EA), eV:	-8.97(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCC1(CCOCC1)C2=CC=CC=C2)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations