Geometry & MOs

Info

ID:

52446

PubChem CID:

12015309

Reduced:

O4N6C45H72 (1)

Stoich.:

A4B6C45D72 (1)

Weight, g/mol:

644.462519

ΔHf, kcal/mol:

-159.31

Dipole, Da:

1.04

IP(EA), eV:

 -8.49(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,17-dihexyl-6,20-dimorpholin-4-yl-7,13,19-trioxa-10,16,21,22-tetrazatricyclo[16.2.1.15,8]docosa-1(20),5,8(22),18(21)-tetraene

Drug info:

PubChemData

Smile

CCCCCCC1C2=NC(=C(O2)N3CCOCC3)CCCC4=C(OC(=N4)C(N(CC5=C(C=C(C(=C5)CN1CC)C)C)CC)CCCCCC)N6CCOCC6

DOS

IR

Vibrations