Geometry & MOs

Info

ID:

862

PubChem CID:

3450

Reduced:

NOC10H20 (3)

Stoich.:

ABC10D20 (3)

Weight, g/mol:

510.463468

ΔHf, kcal/mol:

-54.15

Dipole, Da:

2.07

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.864868

Charge, e:

3

Chem-info

IUPAC name:

2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium

Drug info:

PubChemData

Smile

CC[N+](CC)(CC)CCOC1=C(C(=CC=C1)OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC

DOS

IR

Vibrations