Geometry & MOs

Info

ID:	427685
PubChem CID:	135161275
Reduced:	ClN6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	125.120449
ΔH_f, kcal/mol:	113.94
Dipole, Da:	2.01
IP(EA), eV:	-8.21(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-3-methyl-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C(\C(=C(\C2=CC=CC=C2)/N)\Cl)/C(=NCCN3C=CC=N3)N)/N

DOS

IR

Vibrations