Geometry & MOs

Info

ID:	326301
PubChem CID:	126687298
Reduced:	FN5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	243.211076
ΔH_f, kcal/mol:	31.6
Dipole, Da:	2.18
IP(EA), eV:	-8.39(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-[(1R)-1-aminoethyl]-N-(2-fluoro-2-methylpropyl)-3,4-dimethyl-2,4-dihydro-1H-pyridin-3-amine

Drug info:

PubChemData

Smile

CNC1C(C(=CN1)C2=NC=C(C(=N2)N)F)C=C

DOS

IR

Vibrations