Geometry & MOs

Info

ID:

191091

PubChem CID:

78103079

Reduced:

NO2C9H11 (3)

Stoich.:

AB2C9D11 (3)

Weight, g/mol:

1669.97827

ΔHf, kcal/mol:

-219.99

Dipole, Da:

3.52

IP(EA), eV:

 -9.16(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8,14,32,38-tetrakis(3-aminopropyl)-26-benzyl-11,29,41-tris(2-methylpropyl)-46-phenylmethoxy-5,17,35-tri(propan-2-yl)-45-oxa-3,6,9,12,15,18,24,27,30,33,36,39,42-tridecazatricyclo[42.1.1.020,24]hexatetracontane-4,7,10,13,16,19,25,28,31,34,37,40,43-tridecone;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)OC)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations