Geometry & MOs

Info

ID:	12026
PubChem CID:	126409
Reduced:	O7C30H30 (1)
Stoich.:	A7B30C30 (1)
Weight, g/mol:	502.199153
ΔH_f, kcal/mol:	-292.69
Dipole, Da:	5.62
IP(EA), eV:	-9.01(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=C2C(=C1)CCC3=C(C4=C(C=C32)C(C5=C(C4=O)C(=CC(=C5)O)O)(C)C)O)O)C(=O)O

DOS

IR

Vibrations