Geometry & MOs

Info

ID:	179149
PubChem CID:	76442237
Reduced:	ClO5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	338.100168
ΔH_f, kcal/mol:	-271.9
Dipole, Da:	6.42
IP(EA), eV:	-10.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,3,4,5,6-pentahydroxy-4-methylcyclohexyl)oxychromen-2-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(O)OCCCCl)CCC4=CC(=O)C(CC34C)C(=O)O

DOS

IR

Vibrations