Geometry & MOs

Info

ID:	296927
PubChem CID:	117601395
Reduced:	O4C21H24 (1)
Stoich.:	A4B21C24 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	-116.74
Dipole, Da:	2.22
IP(EA), eV:	-8.82(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C(O2)C3=CC=C(C=C3)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations