Geometry & MOs

Info

ID:	44243
PubChem CID:	10502145
Reduced:	O2C13H21 (2)
Stoich.:	A2B13C21 (2)
Weight, g/mol:	418.099667
ΔH_f, kcal/mol:	-214.13
Dipole, Da:	4.42
IP(EA), eV:	-8.81(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-6-(4-fluorophenyl)-N-(4-methylphenyl)-6H-imidazo[2,1-b][1,3,4]oxadiazol-5-imine

Drug info:

PubChemData

Smile

C[C@H](/C=C/C(C)CO)[C@H]1C[C@H](C2=C3C[C@@H](C4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O)O)O

DOS

IR

Vibrations