Geometry & MOs

Info

ID:	270858
PubChem CID:	103638449
Reduced:	ION3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	21.49
Dipole, Da:	6.64
IP(EA), eV:	-9.41(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCC(C2)C3=CC=NN3)I

DOS

IR

Vibrations