Geometry & MOs

Info

ID:	14058
PubChem CID:	403019
Reduced:	BrN3O3H18C22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	451.05315
ΔH_f, kcal/mol:	-4.75
Dipole, Da:	4.28
IP(EA), eV:	-8.42(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]imidazo[1,2-a]pyridin-2-yl]-2-ethoxyphenol

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N=CC4=C(C=CC(=C4)Br)O)O

DOS

IR

Vibrations