Geometry & MOs

Info

ID:

441760

PubChem CID:

135243585

Reduced:

NC7H10 (2)

Stoich.:

AB7C10 (2)

Weight, g/mol:

898.058689

ΔHf, kcal/mol:

23.63

Dipole, Da:

1.31

IP(EA), eV:

-8.2(0.36)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

20-(dicyanomethylidene)-7,17-bis(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)spiro[2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-10,3'-cyclopropane]-1',2'-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(CC1)N=C2CCC(=NC)CC2

DOS

IR

Vibrations