Geometry & MOs

Info

ID:	337637
PubChem CID:	127258260
Reduced:	BN2O2F5H16C20 (1)
Stoich.:	AB2C2D5E16F20 (1)
Weight, g/mol:	476.242379
ΔH_f, kcal/mol:	-274.02
Dipole, Da:	3.07
IP(EA), eV:	-8.22(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-methylphenyl)-N-[[(Z)-[(2-methylphenyl)-phenylmethylidene]amino]-phenylboranyl]-1-phenylmethanimine

Drug info:

PubChemData

Smile

B(C1=C(C(=C(C(=C1F)F)F)F)F)(N)N(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations