Geometry & MOs

Info

ID:

318572

PubChem CID:

126651926

Reduced:

OC12H22 (1)

Stoich.:

AB12C22 (1)

Weight, g/mol:

1089.36789

ΔHf, kcal/mol:

-71.02

Dipole, Da:

2.67

IP(EA), eV:

-9.58(0.78)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

11-[3-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-[(1Z,2E)-1-ethylidene-2-prop-2-enylidene-[1]benzofuro[2,3-f]indol-3-yl]phenyl]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

CCC/C=C\CCCC(=O)C(C)C

DOS

IR

Vibrations