Geometry & MOs

Info

ID:	143883
PubChem CID:	53274492
Reduced:	Cl2N3O3C18H18 (1)
Stoich.:	A2B3C3D18E18 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-25.71
Dipole, Da:	5.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765261
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-4-[[2-(2-methoxyphenyl)ethylamino]methyl]oxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[N+]2=C(C(=O)ON2)CNCCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations