Geometry & MOs

Info

ID:	430608
PubChem CID:	135170674
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-100.55
Dipole, Da:	3.49
IP(EA), eV:	-9.78(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-1-methyl-5-oxo-2H-pyrrol-2-yl) 2-methylpropanoate

Drug info:

PubChemData

Smile

CCC1=CC(N(C1=O)C)OC(=O)C2CC2

DOS

IR

Vibrations