Geometry & MOs

Info

ID:	430475
PubChem CID:	135170539
Reduced:	NO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-126.55
Dipole, Da:	5.09
IP(EA), eV:	-9.62(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-5-oxo-3-propan-2-yl-2H-pyrrol-2-yl) acetate

Drug info:

PubChemData

Smile

CCOC(=O)OC1C(=CC(=O)N1C)C2=CC=CC=C2

DOS

IR

Vibrations