Geometry & MOs

Info

ID:

324605

PubChem CID:

126677976

Reduced:

ON4H32C46 (1)

Stoich.:

AB4C32D46 (1)

Weight, g/mol:

652.226312

ΔHf, kcal/mol:

186.92

Dipole, Da:

2.01

IP(EA), eV:

 -8.04(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(NC(N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)N(C7=C6C=CC8=C7OC9=CC=CC=C89)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations