Geometry & MOs

Info

ID:

319560

PubChem CID:

126656634

Reduced:

ON2H40C57 (1)

Stoich.:

AB2C40D57 (1)

Weight, g/mol:

577.215412

ΔHf, kcal/mol:

197.7

Dipole, Da:

3.42

IP(EA), eV:

 -7.86(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(4-cyclohepta-1,3,5,6-tetraen-1-yl-6-phenylpyrimidin-2-yl)-5-phenyl-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=C7C(=C8C(=C6)C9=CC=CC=C9O8)C1=CC=CC=C1N7C1=CC=C(C=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations