Geometry & MOs

Info

ID:	430666
PubChem CID:	135170732
Reduced:	SN2C7H10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	45.36
Dipole, Da:	2.29
IP(EA), eV:	-9.45(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) butanoate

Drug info:

PubChemData

Smile

CC1=NSC(=N1)C2(CC2)C

DOS

IR

Vibrations