Geometry & MOs

Info

ID:

20345

PubChem CID:

583248

Reduced:

N2O6C33H42 (1)

Stoich.:

A2B6C33D42 (1)

Weight, g/mol:

562.304287

ΔHf, kcal/mol:

-163.07

Dipole, Da:

8.35

IP(EA), eV:

 -8.26(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-phenylpiperazin-1-yl)-[4-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxymethyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC5=CC=C(C=C5)C(=O)N6CCN(CC6)C7=CC=CC=C7)C

DOS

IR

Vibrations