Geometry & MOs

Info

ID:	381902
PubChem CID:	134972764
Reduced:	O6H14C19 (1)
Stoich.:	A6B14C19 (1)
Weight, g/mol:	700.11554
ΔH_f, kcal/mol:	-156.23
Dipole, Da:	8.78
IP(EA), eV:	-9.01(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 12-bromo-1,3,5,5,7,8,9,11,13-nonamethoxy-6-oxobenzo[a]tetracene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=C(C3=CC=CC=C3)C(=O)O)OC2=O)O

DOS

IR

Vibrations