Geometry & MOs

Info

ID:	170599
PubChem CID:	75258357
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	77.42
Dipole, Da:	5.71
IP(EA), eV:	-9.12(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-6-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1=C)C2=CC=C(C=C2)CN(C)CC3=CC=CC=N3

DOS

IR

Vibrations