Geometry & MOs

Info

ID:	330271
PubChem CID:	127247258
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	44.31
Dipole, Da:	6.06
IP(EA), eV:	-9.48(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-8-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations