Geometry & MOs

Info

ID:	330305
PubChem CID:	127247292
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	2.77
IP(EA), eV:	-9.49(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C(=O)N3CCCCC3C4=CC=NN4)OC1=O

DOS

IR

Vibrations