Geometry & MOs

Info

ID:	24365
PubChem CID:	609686
Reduced:	ClO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	254.034586
ΔH_f, kcal/mol:	-136.78
Dipole, Da:	6.94
IP(EA), eV:	-9.23(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroethyl)-2,5-dihydroxy-4-methylchromen-7-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=O)C=C2OC(=C1CCCl)O)O

DOS

IR

Vibrations