Geometry & MOs

Info

ID:	216810
PubChem CID:	85086811
Reduced:	O2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	304.167459
ΔH_f, kcal/mol:	-166.1
Dipole, Da:	1.41
IP(EA), eV:	-9.65(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-tert-butylphenoxy)-2-methyl-3,6-dihydro-2H-pyran-3-yl] acetate

Drug info:

PubChemData

Smile

CC(CCOC(=O)C(C1=CC=CC=C1)OC(=O)C)CC(=C)C

DOS

IR

Vibrations