Geometry & MOs

Info

ID:	185084
PubChem CID:	77252116
Reduced:	NCl2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	468.126776
ΔH_f, kcal/mol:	-79.66
Dipole, Da:	5.28
IP(EA), eV:	-9.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromene-3,5,7-triol

Drug info:

PubChemData

Smile

CN1CC(C(C1)C(=O)O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations