Geometry & MOs

Info

ID:	11968
PubChem CID:	124413
Reduced:	ON3H11C12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	426.180424
ΔH_f, kcal/mol:	64.46
Dipole, Da:	4.4
IP(EA), eV:	-8.3(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1,3-benzoxazol-2-yl]phenol

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC5=C(C=C4)N=C(O5)C6=CC=C(C=C6)O

DOS

IR

Vibrations