Geometry & MOs

Info

ID:

408426

PubChem CID:

135081192

Reduced:

N5C15H16 (2)

Stoich.:

A5B15C16 (2)

Weight, g/mol:

686.241635

ΔHf, kcal/mol:

230.79

Dipole, Da:

2.13

IP(EA), eV:

 -7.94(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

nickel(2+);4,4,5,5,22,22,23,23-octamethyl-2,7,20,25,38,40-hexaza-37,39-diazanidanonacyclo[24.10.1.13,6.18,19.121,24.09,18.011,16.027,36.029,34]tetraconta-1(36),2,6(40),7,9,11,13,15,17,19,21(38),24,26,28,30,32,34-heptadecaene

Drug info:

PubChemData

Smile

CC1(C2=NC3=C4C=CC=NC4=C(N3)N=C5C6=C(C=CC=N6)C(=NC7=NC(=NC(=N2)C1(C)C)C(C7(C)C)(C)C)N5)C

DOS

IR

Vibrations