Geometry & MOs

Info

ID:	393710
PubChem CID:	135021503
Reduced:	OPN2F3H14C21 (1)
Stoich.:	ABC2D3E14F21 (1)
Weight, g/mol:	230.13068
ΔH_f, kcal/mol:	-79.77
Dipole, Da:	4.68
IP(EA), eV:	-9.12(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-but-3-ynyl-4-methyl-2-phenyl-1,3-dioxane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=NN=C(O3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations