Geometry & MOs

Info

ID:	143882
PubChem CID:	53274414
Reduced:	ClN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	394.072522
ΔH_f, kcal/mol:	55.95
Dipole, Da:	1.65
IP(EA), eV:	-8.43(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]-3-(4-methoxyphenyl)-2H-oxadiazol-3-ium-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCC2=CC3=C(C=C2)C=CN3)Cl

DOS

IR

Vibrations