Geometry & MOs

Info

ID:	383739
PubChem CID:	134975628
Reduced:	CsC5H5 (1)
Stoich.:	AB5C5 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	15.64
Dipole, Da:	13.78
IP(EA), eV:	-6.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoate

Drug info:

PubChemData

Smile

C1=C[CH]C=C1.[Cs+]

DOS

IR

Vibrations