Geometry & MOs

Info

ID:	224
PubChem CID:	2356
Reduced:	O9C14H16 (1)
Stoich.:	A9B14C16 (1)
Weight, g/mol:	328.079432
ΔH_f, kcal/mol:	-349.87
Dipole, Da:	7.14
IP(EA), eV:	-9.42(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O

DOS

IR

Vibrations