Geometry & MOs

Info

ID:	314794
PubChem CID:	126623217
Reduced:	BrFN3O3C12H13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	345.02435
ΔH_f, kcal/mol:	-163.02
Dipole, Da:	3.9
IP(EA), eV:	-9.52(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-N-(6-bromo-3-methylpyridin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1(CC(N(C1)C(=O)O)C(=O)NC2=NC(=CC=C2)Br)F

DOS

IR

Vibrations