Geometry & MOs

Info

ID:	393071
PubChem CID:	135019204
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-34.39
Dipole, Da:	3.92
IP(EA), eV:	-9.65(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclohexyl-2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](CCC#CCO)O

DOS

IR

Vibrations