Geometry & MOs

Info

ID:	311866
PubChem CID:	126598578
Reduced:	N3O5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	354.132805
ΔH_f, kcal/mol:	-212.34
Dipole, Da:	8.36
IP(EA), eV:	-8.76(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-cyanoacetyl)piperidin-3-yl]oxy-6-hydroxyquinoline-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=CN=C2C=C1C(=O)N)OC3CCCN(C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations