Geometry & MOs

Info

ID:	44580
PubChem CID:	10504189
Reduced:	O3C30H52 (1)
Stoich.:	A3B30C52 (1)
Weight, g/mol:	460.05215
ΔH_f, kcal/mol:	-77.07
Dipole, Da:	9.88
IP(EA), eV:	-4.99(-3.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-hydroxy-1,4,9-trimethoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC[C@H](C[C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)OC)C)O)C(C)C

DOS

IR

Vibrations