Geometry & MOs

Info

ID:

438578

PubChem CID:

135228322

Reduced:

NO2C19H21 (1)

Stoich.:

AB2C19D21 (1)

Weight, g/mol:

1293.0452

ΔHf, kcal/mol:

-42.59

Dipole, Da:

1.81

IP(EA), eV:

-8.39(-1.07)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

13-[5-[4,5-bis(ethenyl)naphthalen-1-yl]pentyl]-25-ethenyl-13,41,41-triethyl-6,9,17,20,33,34,37,45,48-nonamethyl-32,50,57-trimethylidene-5,21,33,49-tetrazahexacyclo[47.7.1.04,55.022,27.026,31.051,56]heptapentaconta-1(56),2,4(55),22(27),23,25,28,30,51,53-decaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2COC(CCCN)O

DOS

IR

Vibrations