Geometry & MOs

Info

ID:	411049
PubChem CID:	135083858
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	242.188195
ΔH_f, kcal/mol:	8.15
Dipole, Da:	2.45
IP(EA), eV:	-9.4(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6S)-4-hexyl-2,2,4,6-tetramethyl-1,3-dioxan-5-one

Drug info:

PubChemData

Smile

COC/C=C\COCC#CC1=CC=CC=C1

DOS

IR

Vibrations