Geometry & MOs

Info

ID:

299428

PubChem CID:

117682952

Reduced:

N2H16C25 (2)

Stoich.:

A2B16C25 (2)

Weight, g/mol:

738.278347

ΔHf, kcal/mol:

246.64

Dipole, Da:

1.3

IP(EA), eV:

 -8.06(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-naphthalen-2-yl-N,N,11-triphenyl-2,11,16-triazaheptacyclo[15.12.0.03,15.04,12.05,10.018,23.024,29]nonacosa-1,3(15),4(12),5(10),6,8,13,16,18,20,22,24(29),25,27-tetradecaen-26-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(N3C5=CC=CC=C5)C=CC6=C4N=C7C8=C(C=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1C7=N6

DOS

IR

Vibrations