Geometry & MOs

Info

ID:	359336
PubChem CID:	127298385
Reduced:	N3O3C18H31 (1)
Stoich.:	A3B3C18D31 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-158.09
Dipole, Da:	6.87
IP(EA), eV:	-8.83(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)CC3CCCO3

DOS

IR

Vibrations