Geometry & MOs

Info

ID:	281048
PubChem CID:	103852586
Reduced:	BrFOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	337.155705
ΔH_f, kcal/mol:	-67.93
Dipole, Da:	3.13
IP(EA), eV:	-9.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2-chloropyridin-4-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

C1CC(C(=O)C1)C2=C(C(=CC=C2)Br)F

DOS

IR

Vibrations