Geometry & MOs

Info

ID:	436143
PubChem CID:	135194089
Reduced:	ClO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	-1.68
Dipole, Da:	4.2
IP(EA), eV:	-8.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-aminophenoxy)phenoxy]benzene-1,3-diamine

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(C=NC2=N1)Cl)C(=O)NCC3=CC=C(C=C3)N4CCC(=O)CC4

DOS

IR

Vibrations