Geometry & MOs

Info

ID:	303314
PubChem CID:	124489496
Reduced:	SO3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-114.99
Dipole, Da:	5.74
IP(EA), eV:	-8.45(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2,6-trimethyl-N-[(3R)-pyrrolidin-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCCCC[S@@](=O)C1=CC=CC=C1

DOS

IR

Vibrations