Geometry & MOs

Info

ID:	304162
PubChem CID:	124497784
Reduced:	SN2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	222.082684
ΔH_f, kcal/mol:	26.03
Dipole, Da:	2.36
IP(EA), eV:	-8.46(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-methylsulfanylpyridin-3-yl)pyrrolidine-1-carbaldehyde

Drug info:

PubChemData

Smile

CN1CCC[C@H]1C2=C(N=CC=C2)SC

DOS

IR

Vibrations