1,4-Dinitro-2-Methylpyrrole

Molecule SVG Image

Properties Simple | Detailed

Formula C5H5N3O4
IUPAC Name 2-methyl-1,4-dinitro-pyrrol-1-ium-2-ylium
Molecular Mass 171.111 g·mol−1
Heat of Formation 114.7 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 176.18 Å 3
Surface Area 178.19 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrrole, 2-methyl-1,4-dinitro-
  • 2-methyl-1,4-dinitro-pyrrole
  • 2-methyl-1,4-dinitropyrrole
CAS Number(s)
  • 75142-42-6
InChIKey CAMLSTGUJYUCDX-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N