Geometry & MOs

Info

ID:	370591
PubChem CID:	127339729
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	32.0
Dipole, Da:	7.28
IP(EA), eV:	-9.34(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylquinolin-3-yl)-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C=C1C(=O)N3CCC(CC3)C4=CN(N=C4)C

DOS

IR

Vibrations