Geometry & MOs

Info

ID:	333490
PubChem CID:	127252042
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	29.07
Dipole, Da:	3.86
IP(EA), eV:	-9.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(C=C2)C3CCCCN3C(=O)C4=NNC(=O)C=C4

DOS

IR

Vibrations