Geometry & MOs

Info

ID:	124038
PubChem CID:	50870524
Reduced:	ClO2N7C26H30 (1)
Stoich.:	AB2C7D26E30 (1)
Weight, g/mol:	521.220909
ΔH_f, kcal/mol:	46.04
Dipole, Da:	4.21
IP(EA), eV:	-8.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N/NC2=NC(=NC(=N2)N3CCCC3)N4CCCC4)OCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations