Geometry & MOs

Info

ID:	314743
PubChem CID:	126622954
Reduced:	FN4O4H13C14 (1)
Stoich.:	AB4C4D13E14 (1)
Weight, g/mol:	281.01637
ΔH_f, kcal/mol:	-135.32
Dipole, Da:	7.72
IP(EA), eV:	-9.63(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromopyridin-2-yl)-2-azabicyclo[2.1.1]hexane-1-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=CC=CC(=N2)C3=NC=CO3)C(=O)O)F

DOS

IR

Vibrations