Geometry & MOs

Info

ID:	399023
PubChem CID:	135037094
Reduced:	OC12H22 (1)
Stoich.:	AB12C22 (1)
Weight, g/mol:	274.19328
ΔH_f, kcal/mol:	-69.01
Dipole, Da:	3.43
IP(EA), eV:	-9.57(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S,6S)-4-[(2S)-but-3-en-2-yl]-5-methyl-2-phenyl-6-propan-2-yl-1,3-dioxane

Drug info:

PubChemData

Smile

CCCC(=O)[C@H](CC)[C@@H](C)/C=C/C

DOS

IR

Vibrations