Geometry & MOs

Info

ID:	22234
PubChem CID:	596355
Reduced:	O5H16C17 (1)
Stoich.:	A5B16C17 (1)
Weight, g/mol:	300.099774
ΔH_f, kcal/mol:	-149.63
Dipole, Da:	3.34
IP(EA), eV:	-8.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(CC(CO2)C3=CC4=C(C=C3O)OCO4)C=C1

DOS

IR

Vibrations