Geometry & MOs

Info

ID:

395709

PubChem CID:

135026291

Reduced:

O2N6C19H22 (1)

Stoich.:

A2B6C19D22 (1)

Weight, g/mol:

726.131468

ΔHf, kcal/mol:

45.2

Dipole, Da:

7.4

IP(EA), eV:

 -9.58(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(16R)-tridecacyclo[14.14.6.65,12.620,27.02,15.04,13.06,11.017,30.019,28.021,26.031,36.037,42.043,48]octatetraconta-2(15),4(13),6(11),8,17(30),19(28),21,23,25,31,33,35,37,39,41,43(48),45-heptadecaene-3,7,10,14,18,29,44,47-octone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N/N=C(\C1=CC=CC=C1)/C(N2C=CC=N2)N3C=CC=N3

DOS

IR

Vibrations