Geometry & MOs

Info

ID:	391428
PubChem CID:	135004985
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	331.084645
ΔH_f, kcal/mol:	-46.91
Dipole, Da:	6.64
IP(EA), eV:	-9.23(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2,2-dichloropropylidene(1,1-dideuteriobut-3-enyl)azaniumyl]-difluoro-(2-phenylethynyl)boranuide

Drug info:

PubChemData

Smile

CCCCCCCCC1C=CC2=C(O1)C(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations