Geometry & MOs

Info

ID:

427783

PubChem CID:

135162824

Reduced:

NH15C16 (4)

Stoich.:

AB15C16 (4)

Weight, g/mol:

734.272199

ΔHf, kcal/mol:

223.13

Dipole, Da:

6.41

IP(EA), eV:

 -7.4(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,19-dinaphthalen-1-yl-5-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaene

Drug info:

PubChemData

Smile

CC1=CC(=CCC1)N(C2CC=CC(=C2)C)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)N(C9=CCCC(=C9)C)C1=CC=CC(=C1)C

DOS

IR

Vibrations