Geometry & MOs

Info

ID:	371548
PubChem CID:	127347096
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	347.268511
ΔH_f, kcal/mol:	-44.75
Dipole, Da:	9.55
IP(EA), eV:	-9.08(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCN(C2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations