Geometry & MOs

Info

ID:	20308
PubChem CID:	583046
Reduced:	O3C19H26 (1)
Stoich.:	A3B19C26 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	-120.85
Dipole, Da:	4.88
IP(EA), eV:	-9.71(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-methyl-5-(1-phenylbut-3-enyl)-1,3-dioxan-4-one

Drug info:

PubChemData

Smile

CC1C(C(=O)OC(O1)C(C)(C)C)C(CC=C)C2=CC=CC=C2

DOS

IR

Vibrations