Geometry & MOs

Info

ID:	337633
PubChem CID:	127258256
Reduced:	BN2F5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	388.304979
ΔH_f, kcal/mol:	-244.17
Dipole, Da:	3.87
IP(EA), eV:	-8.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[hexyl-[(E)-(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine

Drug info:

PubChemData

Smile

B(C1=C(C(=C(C(=C1F)F)F)F)F)(N)N(C2=C(C=C(C=C2C)C)C)C3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations