Geometry & MOs

Info

ID:	396441
PubChem CID:	135028420
Reduced:	NH8C13 (1)
Stoich.:	AB8C13 (1)
Weight, g/mol:	696.342404
ΔH_f, kcal/mol:	108.34
Dipole, Da:	2.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.304645
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-1,3-diphenylprop-2-enyl]-4-[2-[2-[2-[[1-[(E)-1,3-diphenylprop-2-enyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]triazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2N=[C+]C=C3

DOS

IR

Vibrations