Geometry & MOs

Info

ID:	378110
PubChem CID:	134224182
Reduced:	ClN2O3H19C24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	429.18009
ΔH_f, kcal/mol:	-10.6
Dipole, Da:	11.88
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]benzoate

Drug info:

PubChemData

Smile

C=C(C1=C(N=CC=C1)NC2=CC=C(C=C2)C(=O)O)C(=O)C3=C(C=CC=C3Cl)C4CC4

DOS

IR

Vibrations