Geometry & MOs

Info

ID:	150839
PubChem CID:	53790535
Reduced:	BCl3O3H6C7 (1)
Stoich.:	AB3C3D6E7 (1)
Weight, g/mol:	448.300225
ΔH_f, kcal/mol:	-217.04
Dipole, Da:	2.3
IP(EA), eV:	-9.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclohexyl-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-2-methylpiperidine-1-carboximidamide

Drug info:

PubChemData

Smile

B(O)(O)OC(C1=CC=CC=C1Cl)(Cl)Cl

DOS

IR

Vibrations