Geometry & MOs

Info

ID:	148093
PubChem CID:	53787755
Reduced:	O5C17H18 (1)
Stoich.:	A5B17C18 (1)
Weight, g/mol:	278.297351
ΔH_f, kcal/mol:	-158.42
Dipole, Da:	1.69
IP(EA), eV:	-8.64(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[3-(4-propylcyclohexyl)propyl]cyclohexane

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1OC(=O)OC2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations