Geometry & MOs

Info

ID:

441817

PubChem CID:

135245236

Reduced:

N4H32C47 (1)

Stoich.:

A4B32C47 (1)

Weight, g/mol:

695.330048

ΔHf, kcal/mol:

238.92

Dipole, Da:

3.14

IP(EA), eV:

 -9.04(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-(benzenecarboximidoyl)-3-[(6E)-2'-ethyl-6-ethylidene-5-methylidene-1'-[(Z)-prop-1-enyl]spiro[benzo[a]fluorene-11,3'-indene]-5'-yl]naphthalene-2-carboximidamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC=C(C=C3)C4=C(C5=CC=CC=C5C=C4)C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC(=C91)C#N)C

DOS

IR

Vibrations