Geometry & MOs

Info

ID:	7514
PubChem CID:	73200
Reduced:	O6H16C17 (1)
Stoich.:	A6B16C17 (1)
Weight, g/mol:	316.094688
ΔH_f, kcal/mol:	-162.55
Dipole, Da:	3.62
IP(EA), eV:	-8.26(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl]-6-hydroxycyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C[C@@H](CO2)C3=CC(=O)C=C(C3=O)O)C=C1)OC

DOS

IR

Vibrations