Geometry & MOs

Info

ID:

324614

PubChem CID:

126677996

Reduced:

ON5H35C51 (1)

Stoich.:

AB5C35D51 (1)

Weight, g/mol:

790.298414

ΔHf, kcal/mol:

221.1

Dipole, Da:

5.01

IP(EA), eV:

 -7.93(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-[4-(6-methyl-5,6-dihydrotriphenylen-2-yl)phenyl]-15-naphthalen-2-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(N=C(N2)C3=CC=CC=C3)C4=CC(=CC=C4)N5C6=C(C=C7C(=C6)C8=CC=CC=C8O7)C9=C5C1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC=C1

DOS

IR

Vibrations