Geometry & MOs

Info

ID:	347918
PubChem CID:	127272980
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-75.89
Dipole, Da:	8.67
IP(EA), eV:	-9.32(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]bicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=NN2)C3=CC=CC=C3)C(=O)CC4CCS(=O)(=O)C4

DOS

IR

Vibrations