Geometry & MOs

Info

ID:	408076
PubChem CID:	135080831
Reduced:	BrNOH12C14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	175.084458
ΔH_f, kcal/mol:	33.0
Dipole, Da:	3.87
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)O/C(=C/C2=CC=NC=C2)/Br

DOS

IR

Vibrations