Geometry & MOs

Info

ID:	192220
PubChem CID:	78247613
Reduced:	BrClO4H18C22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	346.167928
ΔH_f, kcal/mol:	-52.93
Dipole, Da:	4.28
IP(EA), eV:	-8.37(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(4-fluorophenoxy)methyl]-5-(3-imidazolidin-1-ium-1-ylpropylamino)-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC2C(CC1OC(=O)C3=CC=CC=C3Cl)OC=C(C2=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations