Geometry & MOs

Info

ID:	223533
PubChem CID:	85335191
Reduced:	N4O4H20C23 (1)
Stoich.:	A4B4C20D23 (1)
Weight, g/mol:	416.130697
ΔH_f, kcal/mol:	27.47
Dipole, Da:	2.07
IP(EA), eV:	-9.33(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(piperidine-1-carbonyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C4(CC4C(=O)NO)C5=NOC=N5

DOS

IR

Vibrations