Geometry & MOs

Info

ID:	368272
PubChem CID:	127327846
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	369.183461
ΔH_f, kcal/mol:	21.86
Dipole, Da:	4.65
IP(EA), eV:	-9.27(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCCC3=NC=CS3

DOS

IR

Vibrations