Geometry & MOs

Info

ID:	330345
PubChem CID:	127247332
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	33.66
Dipole, Da:	4.18
IP(EA), eV:	-9.25(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=C4C=CC=NC4=CC=C3

DOS

IR

Vibrations