Geometry & MOs

Info

ID:	201223
PubChem CID:	79508749
Reduced:	BrFN2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	266.04186
ΔH_f, kcal/mol:	-13.57
Dipole, Da:	4.79
IP(EA), eV:	-8.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-2,3,4,5-tetrahydropyridin-6-amine

Drug info:

PubChemData

Smile

C1CCN=C(C1)NC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations