Geometry & MOs

Info

ID:	303128
PubChem CID:	124489247
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	252.129634
ΔH_f, kcal/mol:	-2.4
Dipole, Da:	3.41
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)C(=O)C2=CSC3=CC=CC=C32

DOS

IR

Vibrations