Geometry & MOs

Info

ID:	386595
PubChem CID:	134982265
Reduced:	OC7H12 (3)
Stoich.:	AB7C12 (3)
Weight, g/mol:	284.214016
ΔH_f, kcal/mol:	-173.05
Dipole, Da:	1.51
IP(EA), eV:	-8.73(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienyl]benzene

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/C=C(\C)/C1CCC[C@@H](O1)CC(=O)OC

DOS

IR

Vibrations