Geometry & MOs

Info

ID:	338748
PubChem CID:	127259759
Reduced:	O5C19H22 (1)
Stoich.:	A5B19C22 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-160.88
Dipole, Da:	1.73
IP(EA), eV:	-8.33(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-prop-2-enoxycyclohexyl) 2-phenylacetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)COCCOC(=O)CC2=CC=CC=C2)OC

DOS

IR

Vibrations