Geometry & MOs

Info

ID:	347050
PubChem CID:	127271554
Reduced:	ON6C15H26 (1)
Stoich.:	AB6C15D26 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-10.65
Dipole, Da:	8.05
IP(EA), eV:	-8.84(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]-6-azabicyclo[3.2.1]octane-6-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C(=O)NCCN3C=NC=N3

DOS

IR

Vibrations