Geometry & MOs

Info

ID:

1656

PubChem CID:

4833

Reduced:

N2O2C19H19 (2)

Stoich.:

A2B2C19D19 (2)

Weight, g/mol:

614.289306

ΔHf, kcal/mol:

-91.22

Dipole, Da:

4.17

IP(EA), eV:

 -8.56(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,18-bis(2-piperidin-1-ylethyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3(12),4(9),5(25),10,14,16(24),21-nonaene-6,8,17,19-tetrone

Drug info:

PubChemData

Smile

C1CCN(CC1)CCN2C(=O)C3C=CC4=C5C3=C(C2=O)C=CC5C6=C7C4=CC=C8C7=C(C=C6)C(=O)N(C8=O)CCN9CCCCC9

DOS

IR

Vibrations