Geometry & MOs

Info

ID:	359329
PubChem CID:	127298376
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-38.54
Dipole, Da:	6.66
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations