Geometry & MOs

Info

ID:	430459
PubChem CID:	135170523
Reduced:	ClN2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-1.15
Dipole, Da:	3.74
IP(EA), eV:	-9.66(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethyl-5-oxo-2H-pyrrol-2-yl) butanoate

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C(C)(C)Cl

DOS

IR

Vibrations