Geometry & MOs

Info

ID:	296910
PubChem CID:	117600467
Reduced:	FO2N6H21C22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	6.37
Dipole, Da:	5.16
IP(EA), eV:	-8.9(-1.38)
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-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1F)C#N)C2=CNN(C2=O)C3=NC=C(C=C3)C(=O)N4CCN(CC4)C

DOS

IR

Vibrations