Geometry & MOs

Info

ID:	296838
PubChem CID:	117595786
Reduced:	ClNO3C41H52 (1)
Stoich.:	ABC3D41E52 (1)
Weight, g/mol:	452.110732
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	6.92
IP(EA), eV:	-8.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxyphenyl) acetate;1,4,5,8-tetrahydroxy-2,6-dimethylanthracene-9,10-dione

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C.CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl

DOS

IR

Vibrations