Geometry & MOs

Info

ID:

299275

PubChem CID:

117682419

Reduced:

N7P8C42O48H77 (1)

Stoich.:

A7B8C42D48E77 (1)

Weight, g/mol:

828.371579

ΔHf, kcal/mol:

-2552.51

Dipole, Da:

18.23

IP(EA), eV:

 -9.77(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

Drug info:

PubChemData

Smile

C(CCNC(=O)OC(=O)C(O)(P(=O)(O)O)P(=O)(O)O)CC(C(=O)NCCOCCOCCOCCOCCCC=O)NC(=O)C(CCCCNC(=O)OC(=O)C(O)(P(=O)(O)O)P(=O)(O)O)NC(=O)C(CCCCNC(=O)OC(=O)C(O)(P(=O)(O)O)P(=O)(O)O)NC(=O)OC(=O)C(O)(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations