Geometry & MOs

Info

ID:	370561
PubChem CID:	127339696
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	7.11
Dipole, Da:	8.15
IP(EA), eV:	-8.33(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-(1-methylpyrazol-4-yl)-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCC(CC4)C5=CN(N=C5)C

DOS

IR

Vibrations