Geometry & MOs

Info

ID:

426371

PubChem CID:

135143663

Reduced:

NOC11H14 (2)

Stoich.:

ABC11D14 (2)

Weight, g/mol:

1092.371579

ΔHf, kcal/mol:

-50.97

Dipole, Da:

1.52

IP(EA), eV:

 -9.22(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6'-(2',7'-diphenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-5-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,13'-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17,19,21-decaene]

Drug info:

PubChemData

Smile

CCCCCCN(C)C(=O)NC(C=O)C1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations