Geometry & MOs

Info

ID:	28205
PubChem CID:	826268
Reduced:	ClON2H7C9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	168.162649
ΔH_f, kcal/mol:	-5.05
Dipole, Da:	2.39
IP(EA), eV:	-9.32(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Cl)C#N

DOS

IR

Vibrations