Geometry & MOs

Info

ID:

10352

PubChem CID:

100888

Reduced:

NO3H13C16 (2)

Stoich.:

AB3C13D16 (2)

Weight, g/mol:

534.179087

ΔHf, kcal/mol:

-174.22

Dipole, Da:

3.53

IP(EA), eV:

 -9.37(-2.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,18-bis(3-methoxypropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

Drug info:

PubChemData

Smile

COCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCOC)C1=O

DOS

IR

Vibrations