Geometry & MOs

Info

ID:	330248
PubChem CID:	127247235
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-5.31
Dipole, Da:	6.98
IP(EA), eV:	-9.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrrol-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CN3CCC(C3)C4=C(C=NN4)S(=O)(=O)C

DOS

IR

Vibrations