Geometry & MOs

Info

ID:	158861
PubChem CID:	57244102
Reduced:	O2N6H28C29 (1)
Stoich.:	A2B6C28D29 (1)
Weight, g/mol:	169.073893
ΔH_f, kcal/mol:	99.42
Dipole, Da:	6.79
IP(EA), eV:	-8.31(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(hydroxymethyl)-4-methylpyrrole-2,5-dione

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CC=C1)N2C=C(C3=C2C=CC=C3OCC4=CC=CC=C4)C=CC5=NNN=N5

DOS

IR

Vibrations