Geometry & MOs

Info

ID:	218508
PubChem CID:	85089547
Reduced:	O6C29H30 (1)
Stoich.:	A6B29C30 (1)
Weight, g/mol:	474.204239
ΔH_f, kcal/mol:	-206.07
Dipole, Da:	4.56
IP(EA), eV:	-9.5(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl] acetate

Drug info:

PubChemData

Smile

CC(=CC(=O)O)C1=CC=CC(=C1)C2=CC=CC(=C2)CCC(C(CO)C(=O)OCC3=CC=CC=C3)O

DOS

IR

Vibrations