Geometry & MOs

Info

ID:

150656

PubChem CID:

53790350

Reduced:

N2O3H54C59 (1)

Stoich.:

A2B3C54D59 (1)

Weight, g/mol:

765.47756

ΔHf, kcal/mol:

54.93

Dipole, Da:

2.16

IP(EA), eV:

 -7.94(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3,4,5-trimethylphenyl)ethanone;1-[3,4,5-tris[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)C(=O)CCC3=CC(=CC=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC(=C8)CCOC

DOS

IR

Vibrations