Geometry & MOs

Info

ID:	381440
PubChem CID:	134972176
Reduced:	NO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	284.17763
ΔH_f, kcal/mol:	-66.91
Dipole, Da:	3.65
IP(EA), eV:	-9.57(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-phenylethynyl)cyclohexyl]oxyoxane

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=N2)C(=O)C3=CC=CC=C3O)C(=O)C1

DOS

IR

Vibrations