Geometry & MOs

Info

ID:	292092
PubChem CID:	114450793
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-165.47
Dipole, Da:	2.34
IP(EA), eV:	-8.7(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC2CCC(CC2)C(=O)OC

DOS

IR

Vibrations