Geometry & MOs

Info

ID:	355670
PubChem CID:	127289635
Reduced:	ON3C10H16 (2)
Stoich.:	AB3C10D16 (2)
Weight, g/mol:	376.258674
ΔH_f, kcal/mol:	-31.92
Dipole, Da:	7.76
IP(EA), eV:	-8.64(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-3-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)C3=NNC(=C3)C4CC4

DOS

IR

Vibrations