Geometry & MOs

Info

ID:	393434
PubChem CID:	135020591
Reduced:	O10H24C25 (1)
Stoich.:	A10B24C25 (1)
Weight, g/mol:	497.89776
ΔH_f, kcal/mol:	-365.99
Dipole, Da:	2.66
IP(EA), eV:	-9.2(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,12-diiodo-5,6-dihydrobenzo[a]anthracen-6-ol

Drug info:

PubChemData

Smile

C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2[C@H](C3=C(C(=CC(=C3)CO)O)C4=C2C(=C5C(=O)C=CC(=O)C5=C4O)O)O)O

DOS

IR

Vibrations