Geometry & MOs

Info

ID:	296928
PubChem CID:	117601408
Reduced:	O2N6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	373.153875
ΔH_f, kcal/mol:	23.87
Dipole, Da:	7.28
IP(EA), eV:	-8.89(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-(cyclobutylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=CNN(C2=O)C3=NC=C(C=C3)C(=O)NCCCN4CCCCC4

DOS

IR

Vibrations