Geometry & MOs

Info

ID:	430051
PubChem CID:	135170108
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	254.145285
ΔH_f, kcal/mol:	25.95
Dipole, Da:	5.82
IP(EA), eV:	-7.92(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(2S)-1-(3-methylsulfanyloxiran-2-yl)pyrrolidin-2-yl]-3,6-dihydro-2H-pyridine

Drug info:

PubChemData

Smile

C1C2CC\3CC1CC(C2)N/C3=C/N=C4C(=O)C=CC5=C4C=NC=C5

DOS

IR

Vibrations