Geometry & MOs

Info

ID:

383020

PubChem CID:

134974509

Reduced:

NO6C21H25 (1)

Stoich.:

AB6C21D25 (1)

Weight, g/mol:

640.291042

ΔHf, kcal/mol:

-134.2

Dipole, Da:

3.48

IP(EA), eV:

 -8.8(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

39-methyl-2-phenyl-8,11,14,17,24,27,30,33-octaoxa-39-azoniapentacyclo[32.3.1.13,7.14,37.018,23]tetraconta-1,3,5,7(40),18,20,22,34(38),35,37(39)-decaene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])COCCCO)OCCCO

DOS

IR

Vibrations