Geometry & MOs

Info

ID:	310178
PubChem CID:	126576200
Reduced:	ClN3O3H12C19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	448.130218
ΔH_f, kcal/mol:	-41.07
Dipole, Da:	4.48
IP(EA), eV:	-9.21(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C3=C(C=C4C(=N3)NC(=O)N4)Cl

DOS

IR

Vibrations