Geometry & MOs

Info

ID:	365833
PubChem CID:	127318773
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-85.42
Dipole, Da:	4.3
IP(EA), eV:	-9.3(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CCCC(C1)C(=O)N2CCCCC2C3=CNN=C3

DOS

IR

Vibrations