Geometry & MOs

Info

ID:	193661
PubChem CID:	78421408
Reduced:	N5O6C13H13 (1)
Stoich.:	A5B6C13D13 (1)
Weight, g/mol:	346.087091
ΔH_f, kcal/mol:	-114.53
Dipole, Da:	5.08
IP(EA), eV:	-9.84(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazolidin-3-amine

Drug info:

PubChemData

Smile

C1C(NC(=O)NC1=O)CC(=O)NNC=C2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations