Geometry & MOs

Info

ID:	430678
PubChem CID:	135170744
Reduced:	ClNO4C7H8 (1)
Stoich.:	ABC4D7E8 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-145.61
Dipole, Da:	3.85
IP(EA), eV:	-10.19(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(C=C(C1=O)Cl)OC(=O)OC

DOS

IR

Vibrations