Geometry & MOs

Info

ID:	26673
PubChem CID:	794559
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	-74.47
Dipole, Da:	5.71
IP(EA), eV:	-8.98(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3-(4-ethoxyphenyl)-6-propylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCC[C@H]1CCC(=CC1=O)C2=CC=C(C=C2)OCC

DOS

IR

Vibrations