Geometry & MOs

Info

ID:	298483
PubChem CID:	117650142
Reduced:	SN3O5C28H29 (1)
Stoich.:	AB3C5D28E29 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-87.75
Dipole, Da:	2.81
IP(EA), eV:	-8.75(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1,8-di(propan-2-yloxy)oct-2-ene

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)C4=CC=C(N4C5=C(O3)C=C(C=C5)CO)C#CN

DOS

IR

Vibrations