Geometry & MOs

Info

ID:	303129
PubChem CID:	124489250
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-30.13
Dipole, Da:	5.36
IP(EA), eV:	-8.92(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(=O)N2CC[C@H](C2)CNC

DOS

IR

Vibrations