Geometry & MOs

Info

ID:

151103

PubChem CID:

53790801

Reduced:

O4N6C21H24 (1)

Stoich.:

A4B6C21D24 (1)

Weight, g/mol:

780.294785

ΔHf, kcal/mol:

5.15

Dipole, Da:

9.7

IP(EA), eV:

 -8.5(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-N-[4-[[4-[[7-(anilinooxymethyl)-6-hydroxynaphthalen-2-yl]methoxyamino]phenyl]methyl]phenyl]-3-hydroxy-2-N-phenylnaphthalene-2,7-dicarboxamide

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1C2=CC(=C(C=C2)OC)OC)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations