Geometry & MOs

Info

ID:	395779
PubChem CID:	135026506
Reduced:	N3O5C15H15 (1)
Stoich.:	A3B5C15D15 (1)
Weight, g/mol:	446.083804
ΔH_f, kcal/mol:	-54.3
Dipole, Da:	10.91
IP(EA), eV:	-9.75(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-nitro-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]spiro[2,3-dihydropyrrolo[1,2-a]imidazole-6,3'-2-benzofuran]-1',5-dione

Drug info:

PubChemData

Smile

CCN1CCN2C1=C(C3(C2(C4=CC=CC=C4C3=O)O)O)[N+](=O)[O-]

DOS

IR

Vibrations