Geometry & MOs

Info

ID:	333881
PubChem CID:	127252433
Reduced:	ON3C7H9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	302.149124
ΔH_f, kcal/mol:	-15.42
Dipole, Da:	3.91
IP(EA), eV:	-9.6(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=CC=NN2)C3=C(C=NN3)C(=O)N

DOS

IR

Vibrations