Geometry & MOs

Info

ID:	291045
PubChem CID:	111677821
Reduced:	FIO2N4C25H34 (1)
Stoich.:	ABC2D4E25F34 (1)
Weight, g/mol:	440.258754
ΔH_f, kcal/mol:	-96.01
Dipole, Da:	5.34
IP(EA), eV:	-9.02(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[2-(4-fluorophenoxy)propyl]-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)C(=O)N2CCCCC2)NCC(C)OC3=CC=C(C=C3)F.I

DOS

IR

Vibrations