Geometry & MOs

Info

ID:	365297
PubChem CID:	127317659
Reduced:	SO3N5C16H31 (1)
Stoich.:	AB3C5D16E31 (1)
Weight, g/mol:	347.268511
ΔH_f, kcal/mol:	-106.87
Dipole, Da:	4.13
IP(EA), eV:	-8.57(0.12)
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-ylpiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)N(C)CC3CC3

DOS

IR

Vibrations