Geometry & MOs

Info

ID:	223472
PubChem CID:	85335093
Reduced:	ClO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	378.123401
ΔH_f, kcal/mol:	-160.33
Dipole, Da:	9.21
IP(EA), eV:	-8.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-chlorophenoxy)pentoxy]-6-(hydroxymethyl)-2-prop-1-enylpyran-4-one

Drug info:

PubChemData

Smile

CC=CC1=C(C(=O)C=C(O1)CO)OCCCCCOC2=CC(=CC=C2)Cl

DOS

IR

Vibrations