Geometry & MOs

Info

ID:

413826

PubChem CID:

135086776

Reduced:

NO4C16H21 (1)

Stoich.:

AB4C16D21 (1)

Weight, g/mol:

723.193288

ΔHf, kcal/mol:

-141.03

Dipole, Da:

2.83

IP(EA), eV:

 -8.44(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-methyl-2,7,12,17-tetraphenyl-21,24,26-triaza-25,27-diazanidahexacyclo[16.5.1.13,6.18,11.113,16.019,23]heptacosa-1(24),2,4,6,8(26),9,11,13,15,17,19,22-dodecaene;nickel(2+)

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C=C1CC(=O)OC(COC)COC

DOS

IR

Vibrations