Geometry & MOs

Info

ID:	20946
PubChem CID:	586338
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	-202.88
Dipole, Da:	5.27
IP(EA), eV:	-9.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,3-dioxin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1OC(=CC(=O)O1)CC(C2=CC=C(C=C2)OC)O

DOS

IR

Vibrations