Geometry & MOs

Info

ID:	46216
PubChem CID:	10523284
Reduced:	ON3C23H37 (1)
Stoich.:	AB3C23D37 (1)
Weight, g/mol:	372.099774
ΔH_f, kcal/mol:	-6.73
Dipole, Da:	3.39
IP(EA), eV:	-9.6(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,14-dihydroxy-11-methoxy-5,6-dihydrobenzo[a]tetracene-8,13-dione

Drug info:

PubChemData

Smile

C[C@H](CN=[N+]=[N-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@@H]4C5)C)OC)C

DOS

IR

Vibrations