Geometry & MOs

Info

ID:	365315
PubChem CID:	127317699
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	333.252861
ΔH_f, kcal/mol:	-14.5
Dipole, Da:	3.39
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-cyclobutylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

COCCC1=NOC(=N1)CN2CCN(CC2)C3CCC3

DOS

IR

Vibrations