Geometry & MOs

Info

ID:	430423
PubChem CID:	135170487
Reduced:	ClNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	17.07
Dipole, Da:	4.4
IP(EA), eV:	-9.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(C)C2=CC=CC=C2Cl

DOS

IR

Vibrations