Geometry & MOs

Info

ID:	352490
PubChem CID:	127283578
Reduced:	OSN4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	17.97
Dipole, Da:	8.01
IP(EA), eV:	-8.46(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CSC2=CC3=C(CCC3)C=C2)N4C=NC=N4

DOS

IR

Vibrations