Geometry & MOs

Info

ID:	245829
PubChem CID:	103024134
Reduced:	OSN4C10H12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	49.42
Dipole, Da:	5.5
IP(EA), eV:	-9.49(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(2-methylpyrazol-3-yl)-4-piperidin-3-ylpentan-3-one

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations