Geometry & MOs

Info

ID:

21833

PubChem CID:

591759

Reduced:

N3O6C34H47 (1)

Stoich.:

A3B6C34D47 (1)

Weight, g/mol:

593.346486

ΔHf, kcal/mol:

-128.08

Dipole, Da:

6.74

IP(EA), eV:

 -8.4(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-yl) 3,5-dinitrobenzoate

Drug info:

PubChemData

Smile

CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)C7=CC(=CC(=C7)[N+](=O)[O-])[N+](=O)[O-])C)C)C

DOS

IR

Vibrations