Geometry & MOs

Info

ID:	23188
PubChem CID:	602742
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-140.22
Dipole, Da:	3.39
IP(EA), eV:	-9.07(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4,4-diethyl-5-oxo-1H-pyrrol-3-yl)acetate

Drug info:

PubChemData

Smile

CCC1(C(=CNC1=O)CC(=O)OC)CC

DOS

IR

Vibrations