Geometry & MOs

Info

ID:	391358
PubChem CID:	135004478
Reduced:	N2O4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	333.100295
ΔH_f, kcal/mol:	-82.27
Dipole, Da:	3.09
IP(EA), eV:	-9.32(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NN(C(=O)O1)C(CO)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations