Geometry & MOs

Info

ID:

52445

PubChem CID:

12015308

Reduced:

O4N6C41H64 (1)

Stoich.:

A4B6C41D64 (1)

Weight, g/mol:

760.561505

ΔHf, kcal/mol:

-156.79

Dipole, Da:

1.04

IP(EA), eV:

 -8.86(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,17-diethyl-4,16-dihexyl-20,22-dimethyl-7,13-dimorpholin-4-yl-6,14-dioxa-3,17,24,25-tetrazatetracyclo[17.3.1.15,8.112,15]pentacosa-1(23),5(25),7,12,15(24),19,21-heptaene

Drug info:

PubChemData

Smile

CCCCCCC1C2=NC(=C(O2)N3CCOCC3)CCCC4=C(OC(=N4)C(NCC5=C(C=C(C(=C5)CN1)C)C)CCCCCC)N6CCOCC6

DOS

IR

Vibrations