Geometry & MOs

Info

ID:	314808
PubChem CID:	126623363
Reduced:	BrFON3C10H11 (1)
Stoich.:	ABCD3E10F11 (1)
Weight, g/mol:	162.055991
ΔH_f, kcal/mol:	-72.09
Dipole, Da:	3.12
IP(EA), eV:	-9.09(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)N)C2=NC(=CC=C2)Br)F

DOS

IR

Vibrations