Geometry & MOs

Info

ID:	436255
PubChem CID:	135195845
Reduced:	NSH37C57 (1)
Stoich.:	ABC37D57 (1)
Weight, g/mol:	352.094688
ΔH_f, kcal/mol:	245.71
Dipole, Da:	0.7
IP(EA), eV:	-7.96(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9,10-diacetyloxyanthracene-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC9=C(C=C8)C1=C(C=C9)C=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations