Geometry & MOs

Info

ID:	20313
PubChem CID:	583058
Reduced:	O3C16H22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	-135.96
Dipole, Da:	3.74
IP(EA), eV:	-9.65(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-2-tert-butyl-5-methyl-1,3-dioxan-4-one

Drug info:

PubChemData

Smile

CC1(COC(OC1=O)C(C)(C)C)CC2=CC=CC=C2

DOS

IR

Vibrations