Geometry & MOs

Info

ID:	147479
PubChem CID:	53787135
Reduced:	O3H16C20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	304.109944
ΔH_f, kcal/mol:	-45.16
Dipole, Da:	5.14
IP(EA), eV:	-8.35(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(19),8,10(20),11,13(21),15,17-heptaene-6,7-diol

Drug info:

PubChemData

Smile

C1C=CC2=CC=C3C4[C@H]5[C@@H](O5)C(C(C4=CC6=C3C2=C1C=C6)O)O

DOS

IR

Vibrations