Geometry & MOs

Info

ID:	150360
PubChem CID:	53790048
Reduced:	NO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	342.140199
ΔH_f, kcal/mol:	-50.15
Dipole, Da:	2.55
IP(EA), eV:	-8.98(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclooctyl-2-[2-(3-nitrophenyl)ethenyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1C(O1)C2=CC=C(C=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations