Geometry & MOs

Info

ID:	217162
PubChem CID:	85087354
Reduced:	NCl2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	338.100168
ΔH_f, kcal/mol:	-50.33
Dipole, Da:	6.38
IP(EA), eV:	-8.44(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4,4a,9a-tetrahydro-1H-anthracene-9,10-dione

Drug info:

PubChemData

Smile

CCC(CNC(=C1C=C(C=CC1=O)Cl)C2=CC=CC=C2Cl)O

DOS

IR

Vibrations