Geometry & MOs

Info

ID:	274421
PubChem CID:	103809213
Reduced:	OSN2C11H18 (1)
Stoich.:	ABC2D11E18 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-39.38
Dipole, Da:	3.77
IP(EA), eV:	-9.11(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylthiophen-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)CNCC

DOS

IR

Vibrations