Geometry & MOs

Info

ID:	333880
PubChem CID:	127252432
Reduced:	OSN4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	302.149124
ΔH_f, kcal/mol:	-2.0
Dipole, Da:	9.54
IP(EA), eV:	-9.35(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-methyl-1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)C2(CCCN2CC3=CSC(=N3)C)C

DOS

IR

Vibrations