Geometry & MOs

Info

ID:	370648
PubChem CID:	127339807
Reduced:	SO3N6C17H26 (1)
Stoich.:	AB3C6D17E26 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-68.99
Dipole, Da:	7.6
IP(EA), eV:	-9.17(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1-ethylpyrazol-4-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CNS(=O)(=O)C3=CN(C(=N3)C)C

DOS

IR

Vibrations