Geometry & MOs

Info

ID:	330272
PubChem CID:	127247259
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	46.38
Dipole, Da:	8.36
IP(EA), eV:	-9.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-3-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations