Geometry & MOs

Info

ID:	430601
PubChem CID:	135170667
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-142.51
Dipole, Da:	2.92
IP(EA), eV:	-9.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations