Geometry & MOs

Info

ID:	355496
PubChem CID:	127288559
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-86.97
Dipole, Da:	7.55
IP(EA), eV:	-9.08(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]bicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations