Geometry & MOs

Info

ID:

425936

PubChem CID:

135132658

Reduced:

NO5C25H33 (1)

Stoich.:

AB5C25D33 (1)

Weight, g/mol:

496.11471

ΔHf, kcal/mol:

-186.61

Dipole, Da:

13.27

IP(EA), eV:

 -8.68(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,22-bis(furan-2-yl)-6-methyl-17-(trifluoromethyl)-3,10,14,21-tetrazahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(22),2,4(9),5,7,11,13,15(20),16,18-decaene

Drug info:

PubChemData

Smile

CC(=O)C1=CN2C(CCC3=CC(=C(C=C3C2=CC1=O)OC)OCCCOC)C(C)(C)C

DOS

IR

Vibrations