Geometry & MOs

Info

ID:	205888
PubChem CID:	80172941
Reduced:	FNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-79.33
Dipole, Da:	2.37
IP(EA), eV:	-9.49(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(4-ethyl-2-oxopyrrolidin-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC1CC(=O)N(C1)CC2=C(C=C(C=C2)C#CCO)F

DOS

IR

Vibrations