Geometry & MOs

Info

ID:	210718
PubChem CID:	80845252
Reduced:	OSN6C13H18 (1)
Stoich.:	ABC6D13E18 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	25.16
Dipole, Da:	3.6
IP(EA), eV:	-9.15(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-amino-2-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-ol

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCOC2=NC(=NC(=N2)N3CCCC3)N

DOS

IR

Vibrations