Geometry & MOs

Info

ID:

215185

PubChem CID:

85084334

Reduced:

N6O7C41H56 (1)

Stoich.:

A6B7C41D56 (1)

Weight, g/mol:

744.432282

ΔHf, kcal/mol:

-305.51

Dipole, Da:

3.18

IP(EA), eV:

 -9.24(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,18-bis(4-aminobutyl)-3,15-dibenzyl-1,4,7,13,16,19-hexazatricyclo[19.3.0.09,13]tetracosane-2,5,8,14,17,20-hexone

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCCCC1C(=O)N2CCCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)O)NC(=O)C(CC5=CC=CC=C5)N

DOS

IR

Vibrations