Geometry & MOs

Info

ID:

2975

PubChem CID:

8979

Reduced:

N4H9C16 (2)

Stoich.:

A4B9C16 (2)

Weight, g/mol:

514.165443

ΔHf, kcal/mol:

438.13

Dipole, Da:

6.1

IP(EA), eV:

 -6.96(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-nonadecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC2=NC4=NC(=NC5=NC(=NC6=C7C=CC=CC7=C(N6)N3)C8=CC=CC=C85)C9=CC=CC=C94

DOS

IR

Vibrations