Geometry & MOs

Info

ID:

440938

PubChem CID:

135232351

Reduced:

N5H25C41 (1)

Stoich.:

A5B25C41 (1)

Weight, g/mol:

360.151415

ΔHf, kcal/mol:

236.28

Dipole, Da:

2.47

IP(EA), eV:

 -8.02(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-oxaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1,4,6,8,10,14,16,18,20(28),22(27),25-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=C3C6=CC=CC=C6C7=CC8=C(C=C75)NC9=CC=CC=C98)C1=CC=CC=C1

DOS

IR

Vibrations