Geometry & MOs

Info

ID:	370613
PubChem CID:	127339763
Reduced:	SO3N4C19H32 (1)
Stoich.:	AB3C4D19E32 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	-123.41
Dipole, Da:	3.23
IP(EA), eV:	-9.23(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCCC1C(=O)N2CCC(CC2)C3=CN(N=C3)CC

DOS

IR

Vibrations