Geometry & MOs

Info

ID:

22985

PubChem CID:

600657

Reduced:

N5O7C23H23 (1)

Stoich.:

A5B7C23D23 (1)

Weight, g/mol:

481.159748

ΔHf, kcal/mol:

-19.64

Dipole, Da:

4.9

IP(EA), eV:

 -8.75(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,4-dinitrophenyl)-(15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-18-yl)diazene

Drug info:

PubChemData

Smile

COC1CCC23C(C1)N(CC2N=NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])CC5=CC6=C(C=C35)OCO6

DOS

IR

Vibrations