Geometry & MOs

Info

ID:

441980

PubChem CID:

135247356

Reduced:

N2H19C30 (2)

Stoich.:

A2B19C30 (2)

Weight, g/mol:

860.387898

ΔHf, kcal/mol:

303.24

Dipole, Da:

1.31

IP(EA), eV:

 -8.03(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2'-[(1E,3E)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-ethyl-3-(2-phenylphenyl)penta-1,3-dienyl]-3'-ethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,1'-indene]

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C3=CC=CC=C3C(=C2C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C7=CC=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations