Geometry & MOs

Info

ID:	21352
PubChem CID:	587988
Reduced:	O3C11H18 (1)
Stoich.:	A3B11C18 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-147.35
Dipole, Da:	5.57
IP(EA), eV:	-10.21(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-ethylidene-6-methyl-1,3-dioxan-4-one

Drug info:

PubChemData

Smile

CC=C1C(OC(OC1=O)C(C)(C)C)C

DOS

IR

Vibrations