Geometry & MOs

Info

ID:	22402
PubChem CID:	597156
Reduced:	O3C19H28 (1)
Stoich.:	A3B19C28 (1)
Weight, g/mol:	304.203845
ΔH_f, kcal/mol:	-145.64
Dipole, Da:	0.58
IP(EA), eV:	-8.5(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butoxyphenyl) 4-ethylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CC

DOS

IR

Vibrations