Geometry & MOs

Info

ID:	25533
PubChem CID:	626284
Reduced:	O2H7C9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	352.118162
ΔH_f, kcal/mol:	-68.16
Dipole, Da:	1.18
IP(EA), eV:	-8.51(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[butyl(phenyl)boranyl] 2,2,2-trifluoro-N-(2,2,2-trifluoroethanimidoyl)ethanimidate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OC

DOS

IR

Vibrations