Geometry & MOs

Info

ID:	3027
PubChem CID:	9064
Reduced:	O6H14C15 (1)
Stoich.:	A6B14C15 (1)
Weight, g/mol:	290.079038
ΔH_f, kcal/mol:	-219.15
Dipole, Da:	2.55
IP(EA), eV:	-8.88(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O

DOS

IR

Vibrations