Geometry & MOs

Info

ID:	430538
PubChem CID:	135170604
Reduced:	OC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	189.019271
ΔH_f, kcal/mol:	-81.67
Dipole, Da:	0.29
IP(EA), eV:	-9.93(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=C)C(=O)CC(C1=O)(C)C

DOS

IR

Vibrations