Geometry & MOs

Info

ID:	296907
PubChem CID:	117600379
Reduced:	O2N5H15C18 (1)
Stoich.:	A2B5C15D18 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	43.88
Dipole, Da:	6.07
IP(EA), eV:	-9.27(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-methoxypyridin-4-yl)-3-oxo-1H-pyrazol-2-yl]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C(=O)NC)N2C(=O)C(=CN2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations