Geometry & MOs

Info

ID:	362406
PubChem CID:	127307751
Reduced:	O3N6C14H20 (1)
Stoich.:	A3B6C14D20 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	3.05
IP(EA), eV:	-9.08(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)CN3CC(=O)NC3=O

DOS

IR

Vibrations