Geometry & MOs

Info

ID:	359332
PubChem CID:	127298379
Reduced:	O2N7C15H25 (1)
Stoich.:	A2B7C15D25 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	-17.8
Dipole, Da:	9.63
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations