Geometry & MOs

Info

ID:	357681
PubChem CID:	127294355
Reduced:	OSN6C17H24 (1)
Stoich.:	ABC6D17E24 (1)
Weight, g/mol:	376.258674
ΔH_f, kcal/mol:	39.61
Dipole, Da:	1.58
IP(EA), eV:	-8.62(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)CC(=O)NC3=NC4=C(S3)CCC4

DOS

IR

Vibrations