Geometry & MOs

Info

ID:	407338
PubChem CID:	135079885
Reduced:	BF4H6C8 (1)
Stoich.:	AB4C6D8 (1)
Weight, g/mol:	387.099986
ΔH_f, kcal/mol:	-240.41
Dipole, Da:	1.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.001085
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine

Drug info:

PubChemData

Smile

[B-](/C=C\C1=CC=C(C=C1)F)(F)(F)F

DOS

IR

Vibrations