Geometry & MOs

Info

ID:

313148

PubChem CID:

126612254

Reduced:

NOH53C56 (1)

Stoich.:

ABC53D56 (1)

Weight, g/mol:

875.412715

ΔHf, kcal/mol:

74.13

Dipole, Da:

1.12

IP(EA), eV:

 -7.64(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-diphenylphenyl)-9,9,19,19,27,27,37,37-octamethyl-23-oxa-2-azaundecacyclo[22.18.0.03,22.05,20.06,18.08,16.010,15.026,41.028,40.030,38.031,36]dotetraconta-1(24),3(22),4,6(18),7,10,12,14,16,20,25,28(40),29,31,33,35,38,41-octadecaene

Drug info:

PubChemData

Smile

CC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)C5=CC=C(C=C5)C(C)(C)C)N(C6=C(O3)C=C7C(=C6)C8=C(C7(C)C)C=C(C=C8)C9=CC=C(C=C9)C(C)(C)C)C1=CC=CC=C1)C

DOS

IR

Vibrations