Geometry & MOs

Info

ID:	370669
PubChem CID:	127339831
Reduced:	ClON4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	6.37
Dipole, Da:	4.67
IP(EA), eV:	-8.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-3-oxopropyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CC3=CNC4=C3C=CC(=C4)Cl

DOS

IR

Vibrations