Geometry & MOs

Info

ID:	146397
PubChem CID:	53681325
Reduced:	SF3N6O6C20H23 (1)
Stoich.:	AB3C6D6E20F23 (1)
Weight, g/mol:	226.087291
ΔH_f, kcal/mol:	-319.1
Dipole, Da:	9.57
IP(EA), eV:	-9.19(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-methyl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

Drug info:

PubChemData

Smile

CC(=O)N(C1=C(C(=O)NC=C1)NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)[C@@H](CCCN=C(N)N)C=O

DOS

IR

Vibrations