Geometry & MOs

Info

ID:

298143

PubChem CID:

117647718

Reduced:

N4O5C37H46 (1)

Stoich.:

A4B5C37D46 (1)

Weight, g/mol:

950.434848

ΔHf, kcal/mol:

-116.55

Dipole, Da:

5.34

IP(EA), eV:

 -8.89(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-N,17-N-bis(2,4-diphenylphenyl)-10,10,20,20-tetramethyl-7-N,17-N-diphenyl-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-7,17-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=CC(=C2)OCCCN)OCCCN)C(=O)C3=CC=C(C=C3)C4=CC(=CC(=C4)OCCCN)OCCCN

DOS

IR

Vibrations