Geometry & MOs

Info

ID:	336655
PubChem CID:	127255662
Reduced:	BrFNO2C11H11 (1)
Stoich.:	ABCD2E11F11 (1)
Weight, g/mol:	336.02402
ΔH_f, kcal/mol:	-111.44
Dipole, Da:	5.56
IP(EA), eV:	-9.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-(5-bromopyridin-2-yl)ethyl]carbamate;hydrochloride

Drug info:

PubChemData

Smile

C1CC(N[C@@H]1C(=O)O)C2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations