Geometry & MOs

Info

ID:	401064
PubChem CID:	135049956
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	298.119166
ΔH_f, kcal/mol:	-60.46
Dipole, Da:	2.11
IP(EA), eV:	-8.75(0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(4-acetyloxyphenyl)-2-oxo-4-pyrrol-1-ylbutylidene]-iminoazanium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C(\O)/OC

DOS

IR

Vibrations