Geometry & MOs

Info

ID:	296925
PubChem CID:	117601260
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-67.77
Dipole, Da:	1.72
IP(EA), eV:	-9.16(-1.12)
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-[(1S)-1-cyclopropylethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)OC)C2=CNN(C2=O)C3=NC=C(C=C3)C(=O)NCCCOC

DOS

IR

Vibrations