Geometry & MOs

Info

ID:

426332

PubChem CID:

135143435

Reduced:

ClN2O11C51H75 (1)

Stoich.:

AB2C11D51E75 (1)

Weight, g/mol:

359.351178

ΔHf, kcal/mol:

-412.58

Dipole, Da:

10.47

IP(EA), eV:

 -8.57(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-amino-2-(1-aminoethoxy)ethoxy]-N-butan-2-yl-5,5-dimethyldecan-1-amine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)NCC5=CC(=CC=C5)Cl)C)OC)OC

DOS

IR

Vibrations