Geometry & MOs

Info

ID:

324995

PubChem CID:

126679119

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

498.173213

ΔHf, kcal/mol:

255.15

Dipole, Da:

3.94

IP(EA), eV:

 -8.15(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,15-diphenyl-24-oxa-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)C9=C(N8C1=CC2=CC=CC=C2C=C1)C1=C(C=C9)OC2=CC=CC=C21

DOS

IR

Vibrations