Geometry & MOs

Info

ID:

379437

PubChem CID:

134419479

Reduced:

BrO4C51H53 (1)

Stoich.:

AB4C51D53 (1)

Weight, g/mol:

736.331938

ΔHf, kcal/mol:

-100.2

Dipole, Da:

1.92

IP(EA), eV:

 -8.22(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-(7-tert-butylpyren-1-yl)-7-chloro-9-(5-prop-2-enoyloxypentyl)fluoren-9-yl]pentyl prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C3C(=C1)C=CC4=C3C(=C(C=C4)C5=CC6=C(C=C5)C7=C(C6(CCCCOC(=O)C=C)CCCCOC(=O)C=C)C=C(C=C7Br)C(C)(C)C)C=C2

DOS

IR

Vibrations