Geometry & MOs

Info

ID:	330346
PubChem CID:	127247333
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	320.104003
ΔH_f, kcal/mol:	39.89
Dipole, Da:	3.13
IP(EA), eV:	-9.21(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations